USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 913 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 ASN : amide:sc= -0.914 K(o=-2.2,f=-1.5!) USER MOD Set 1.2: A 89 GLN : amide:sc= -1.24 K(o=-2.2,f=-1.5) USER MOD Set 2.1: A 4 ASN : amide:sc= -0.175 K(o=-1.4,f=-4.7!) USER MOD Set 2.2: A 38 HIS : no HD1:sc= -1.25 K(o=-1.4,f=-0.36) USER MOD Set 3.1: A 2 THR OG1 : rot 90:sc= 1.18 USER MOD Set 3.2: A 36 ASN : amide:sc= 0 K(o=1.2,f=-0.88) USER MOD Single : A 1 MET CE :methyl -120:sc= -5.23 (180deg=-8.91!) USER MOD Single : A 1 MET N :NH3+ 160:sc= -0.0147 (180deg=-0.267) USER MOD Single : A 3 MET CE :methyl -120:sc= -0.952 (180deg=-1.13) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 50:sc= -0.844 USER MOD Single : A 8 LYS NZ :NH3+ 150:sc= -0.196 (180deg=-0.428) USER MOD Single : A 9 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.052) USER MOD Single : A 10 MET CE :methyl -118:sc= -1.2 (180deg=-3.75!) USER MOD Single : A 13 THR OG1 : rot 170:sc= -0.909 USER MOD Single : A 18 GLN : amide:sc= -0.0886 X(o=-0.089,f=-0.33) USER MOD Single : A 19 HIS : no HD1:sc= -5.59 X(o=-5.6,f=-5.7!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -72:sc= -2.03! USER MOD Single : A 33 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-0.012) USER MOD Single : A 42 SER OG : rot 160:sc= -2.27 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0315 X(o=-0.031,f=0) USER MOD Single : A 53 THR OG1 : rot -170:sc= -2! USER MOD Single : A 55 ASN : amide:sc= -1.88! K(o=-1.9!,f=0) USER MOD Single : A 56 THR OG1 : rot -74:sc= 1.13 USER MOD Single : A 64 SER OG : rot -85:sc= 0.623 USER MOD Single : A 66 LYS NZ :NH3+ -169:sc= -0.0114 (180deg=-0.109) USER MOD Single : A 67 HIS : no HE2:sc= -4.63! C(o=-4.6!,f=-4.3!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -150:sc= -2.32 USER MOD Single : A 75 ASN : amide:sc= 1.05 K(o=1,f=-0.4) USER MOD Single : A 79 ASN : amide:sc= -6.11! C(o=-6.1!,f=-21!) USER MOD Single : A 80 LYS NZ :NH3+ 140:sc= 0.0677 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -1.89 K(o=-1.9,f=-4.2!) USER MOD Single : A 86 ASN : amide:sc= -3.5 K(o=-3.5,f=-6.1!) USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= -0.0762 (180deg=-0.53) USER MOD Single : A 90 HIS : no HD1:sc= -0.7 X(o=-0.7,f=-0.53) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 170:sc= -0.442 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -161:sc=-0.000958 (180deg=-0.0939) USER MOD Single : A 105 ASN : amide:sc= -0.0555 X(o=-0.056,f=-0.056) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 186.938 0.475 -8.255 1.00 0.00 N ATOM 2 CA MET A 1 185.808 0.043 -7.391 1.00 0.00 C ATOM 3 C MET A 1 184.891 -0.932 -8.124 1.00 0.00 C ATOM 4 O MET A 1 184.283 -0.589 -9.138 1.00 0.00 O ATOM 5 CB MET A 1 185.025 1.283 -6.950 1.00 0.00 C ATOM 6 CG MET A 1 184.529 2.140 -8.106 1.00 0.00 C ATOM 7 SD MET A 1 182.788 2.587 -7.947 1.00 0.00 S ATOM 8 CE MET A 1 182.791 3.404 -6.354 1.00 0.00 C ATOM 0 H1 MET A 1 187.339 1.360 -7.885 1.00 0.00 H new ATOM 0 H2 MET A 1 187.672 -0.262 -8.261 1.00 0.00 H new ATOM 0 H3 MET A 1 186.595 0.629 -9.224 1.00 0.00 H new ATOM 0 HA MET A 1 186.205 -0.477 -6.519 1.00 0.00 H new ATOM 0 HB2 MET A 1 184.171 0.968 -6.351 1.00 0.00 H new ATOM 0 HB3 MET A 1 185.659 1.891 -6.305 1.00 0.00 H new ATOM 0 HG2 MET A 1 185.129 3.048 -8.163 1.00 0.00 H new ATOM 0 HG3 MET A 1 184.677 1.601 -9.042 1.00 0.00 H new ATOM 0 HE1 MET A 1 182.123 2.876 -5.673 1.00 0.00 H new ATOM 0 HE2 MET A 1 183.802 3.402 -5.946 1.00 0.00 H new ATOM 0 HE3 MET A 1 182.450 4.432 -6.472 1.00 0.00 H new ATOM 20 N THR A 2 184.793 -2.150 -7.598 1.00 0.00 N ATOM 21 CA THR A 2 183.949 -3.178 -8.196 1.00 0.00 C ATOM 22 C THR A 2 182.506 -3.043 -7.702 1.00 0.00 C ATOM 23 O THR A 2 182.041 -1.935 -7.436 1.00 0.00 O ATOM 24 CB THR A 2 184.508 -4.567 -7.871 1.00 0.00 C ATOM 25 OG1 THR A 2 185.893 -4.497 -7.592 1.00 0.00 O ATOM 26 CG2 THR A 2 184.315 -5.565 -8.993 1.00 0.00 C ATOM 0 H THR A 2 185.289 -2.449 -6.758 1.00 0.00 H new ATOM 0 HA THR A 2 183.948 -3.048 -9.278 1.00 0.00 H new ATOM 0 HB THR A 2 183.948 -4.909 -7.001 1.00 0.00 H new ATOM 0 HG1 THR A 2 186.026 -4.352 -6.632 1.00 0.00 H new ATOM 0 HG21 THR A 2 184.733 -6.528 -8.699 1.00 0.00 H new ATOM 0 HG22 THR A 2 183.251 -5.679 -9.200 1.00 0.00 H new ATOM 0 HG23 THR A 2 184.822 -5.208 -9.889 1.00 0.00 H new ATOM 34 N MET A 3 181.796 -4.163 -7.583 1.00 0.00 N ATOM 35 CA MET A 3 180.414 -4.141 -7.120 1.00 0.00 C ATOM 36 C MET A 3 180.003 -5.499 -6.564 1.00 0.00 C ATOM 37 O MET A 3 179.409 -6.316 -7.267 1.00 0.00 O ATOM 38 CB MET A 3 179.479 -3.736 -8.261 1.00 0.00 C ATOM 39 CG MET A 3 178.023 -3.613 -7.841 1.00 0.00 C ATOM 40 SD MET A 3 177.220 -2.150 -8.526 1.00 0.00 S ATOM 41 CE MET A 3 177.741 -0.897 -7.356 1.00 0.00 C ATOM 0 H MET A 3 182.155 -5.093 -7.800 1.00 0.00 H new ATOM 0 HA MET A 3 180.337 -3.406 -6.319 1.00 0.00 H new ATOM 0 HB2 MET A 3 179.812 -2.782 -8.671 1.00 0.00 H new ATOM 0 HB3 MET A 3 179.557 -4.472 -9.061 1.00 0.00 H new ATOM 0 HG2 MET A 3 177.481 -4.503 -8.161 1.00 0.00 H new ATOM 0 HG3 MET A 3 177.965 -3.578 -6.753 1.00 0.00 H new ATOM 0 HE1 MET A 3 176.864 -0.451 -6.886 1.00 0.00 H new ATOM 0 HE2 MET A 3 178.370 -1.352 -6.591 1.00 0.00 H new ATOM 0 HE3 MET A 3 178.306 -0.124 -7.878 1.00 0.00 H new ATOM 51 N ASN A 4 180.321 -5.734 -5.294 1.00 0.00 N ATOM 52 CA ASN A 4 179.984 -6.994 -4.642 1.00 0.00 C ATOM 53 C ASN A 4 178.768 -6.828 -3.736 1.00 0.00 C ATOM 54 O ASN A 4 178.896 -6.742 -2.515 1.00 0.00 O ATOM 55 CB ASN A 4 181.177 -7.509 -3.830 1.00 0.00 C ATOM 56 CG ASN A 4 181.575 -8.919 -4.220 1.00 0.00 C ATOM 57 OD1 ASN A 4 181.720 -9.794 -3.366 1.00 0.00 O ATOM 58 ND2 ASN A 4 181.752 -9.147 -5.515 1.00 0.00 N ATOM 0 H ASN A 4 180.811 -5.068 -4.697 1.00 0.00 H new ATOM 0 HA ASN A 4 179.741 -7.722 -5.416 1.00 0.00 H new ATOM 0 HB2 ASN A 4 182.027 -6.841 -3.974 1.00 0.00 H new ATOM 0 HB3 ASN A 4 180.929 -7.485 -2.769 1.00 0.00 H new ATOM 0 HD21 ASN A 4 182.019 -10.077 -5.837 1.00 0.00 H new ATOM 0 HD22 ASN A 4 181.621 -8.392 -6.188 1.00 0.00 H new ATOM 65 N ILE A 5 177.586 -6.780 -4.341 1.00 0.00 N ATOM 66 CA ILE A 5 176.352 -6.621 -3.585 1.00 0.00 C ATOM 67 C ILE A 5 175.787 -7.976 -3.166 1.00 0.00 C ATOM 68 O ILE A 5 175.661 -8.887 -3.985 1.00 0.00 O ATOM 69 CB ILE A 5 175.284 -5.858 -4.394 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.921 -4.687 -5.149 1.00 0.00 C ATOM 71 CG2 ILE A 5 174.181 -5.362 -3.473 1.00 0.00 C ATOM 72 CD1 ILE A 5 174.935 -3.905 -5.990 1.00 0.00 C ATOM 0 H ILE A 5 177.458 -6.849 -5.351 1.00 0.00 H new ATOM 0 HA ILE A 5 176.601 -6.041 -2.696 1.00 0.00 H new ATOM 0 HB ILE A 5 174.846 -6.539 -5.123 1.00 0.00 H new ATOM 0 HG12 ILE A 5 176.389 -4.013 -4.431 1.00 0.00 H new ATOM 0 HG13 ILE A 5 176.714 -5.068 -5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 5 173.433 -4.825 -4.057 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.712 -6.212 -2.977 1.00 0.00 H new ATOM 0 HG23 ILE A 5 174.606 -4.693 -2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 5 175.454 -3.091 -6.496 1.00 0.00 H new ATOM 0 HD12 ILE A 5 174.485 -4.565 -6.731 1.00 0.00 H new ATOM 0 HD13 ILE A 5 174.155 -3.494 -5.349 1.00 0.00 H new ATOM 84 N THR A 6 175.453 -8.103 -1.885 1.00 0.00 N ATOM 85 CA THR A 6 174.907 -9.349 -1.355 1.00 0.00 C ATOM 86 C THR A 6 173.931 -9.077 -0.212 1.00 0.00 C ATOM 87 O THR A 6 174.342 -8.863 0.928 1.00 0.00 O ATOM 88 CB THR A 6 176.034 -10.260 -0.868 1.00 0.00 C ATOM 89 OG1 THR A 6 175.521 -11.310 -0.068 1.00 0.00 O ATOM 90 CG2 THR A 6 177.084 -9.534 -0.055 1.00 0.00 C ATOM 0 H THR A 6 175.551 -7.359 -1.195 1.00 0.00 H new ATOM 0 HA THR A 6 174.367 -9.847 -2.160 1.00 0.00 H new ATOM 0 HB THR A 6 176.503 -10.646 -1.773 1.00 0.00 H new ATOM 0 HG1 THR A 6 176.258 -11.882 0.232 1.00 0.00 H new ATOM 0 HG21 THR A 6 177.853 -10.239 0.259 1.00 0.00 H new ATOM 0 HG22 THR A 6 177.536 -8.750 -0.662 1.00 0.00 H new ATOM 0 HG23 THR A 6 176.619 -9.089 0.825 1.00 0.00 H new ATOM 98 N SER A 7 172.639 -9.088 -0.526 1.00 0.00 N ATOM 99 CA SER A 7 171.607 -8.843 0.478 1.00 0.00 C ATOM 100 C SER A 7 171.105 -10.153 1.078 1.00 0.00 C ATOM 101 O SER A 7 171.079 -11.184 0.406 1.00 0.00 O ATOM 102 CB SER A 7 170.439 -8.075 -0.141 1.00 0.00 C ATOM 103 OG SER A 7 170.775 -6.715 -0.351 1.00 0.00 O ATOM 0 H SER A 7 172.282 -9.263 -1.465 1.00 0.00 H new ATOM 0 HA SER A 7 172.048 -8.245 1.276 1.00 0.00 H new ATOM 0 HB2 SER A 7 170.160 -8.534 -1.089 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.569 -8.141 0.513 1.00 0.00 H new ATOM 0 HG SER A 7 171.633 -6.659 -0.822 1.00 0.00 H new ATOM 109 N LYS A 8 170.707 -10.108 2.347 1.00 0.00 N ATOM 110 CA LYS A 8 170.205 -11.294 3.030 1.00 0.00 C ATOM 111 C LYS A 8 168.774 -11.617 2.586 1.00 0.00 C ATOM 112 O LYS A 8 168.573 -12.383 1.644 1.00 0.00 O ATOM 113 CB LYS A 8 170.273 -11.098 4.547 1.00 0.00 C ATOM 114 CG LYS A 8 169.839 -12.317 5.342 1.00 0.00 C ATOM 115 CD LYS A 8 170.793 -13.482 5.142 1.00 0.00 C ATOM 116 CE LYS A 8 172.221 -13.107 5.509 1.00 0.00 C ATOM 117 NZ LYS A 8 172.285 -12.347 6.789 1.00 0.00 N ATOM 0 H LYS A 8 170.723 -9.265 2.921 1.00 0.00 H new ATOM 0 HA LYS A 8 170.836 -12.141 2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 8 171.295 -10.839 4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 8 169.643 -10.252 4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 8 169.790 -12.063 6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 8 168.835 -12.612 5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 8 170.470 -14.326 5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 8 170.758 -13.807 4.102 1.00 0.00 H new ATOM 0 HE2 LYS A 8 172.823 -14.011 5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 8 172.656 -12.508 4.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 173.191 -12.539 7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 172.206 -11.329 6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 171.502 -12.642 7.407 1.00 0.00 H new ATOM 131 N GLN A 9 167.783 -11.023 3.252 1.00 0.00 N ATOM 132 CA GLN A 9 166.384 -11.251 2.898 1.00 0.00 C ATOM 133 C GLN A 9 165.880 -10.144 1.981 1.00 0.00 C ATOM 134 O GLN A 9 165.433 -10.402 0.863 1.00 0.00 O ATOM 135 CB GLN A 9 165.501 -11.322 4.149 1.00 0.00 C ATOM 136 CG GLN A 9 166.072 -12.187 5.264 1.00 0.00 C ATOM 137 CD GLN A 9 166.343 -11.405 6.535 1.00 0.00 C ATOM 138 OE1 GLN A 9 166.133 -11.907 7.641 1.00 0.00 O ATOM 139 NE2 GLN A 9 166.811 -10.170 6.389 1.00 0.00 N ATOM 0 H GLN A 9 167.923 -10.384 4.035 1.00 0.00 H new ATOM 0 HA GLN A 9 166.326 -12.206 2.377 1.00 0.00 H new ATOM 0 HB2 GLN A 9 165.347 -10.312 4.530 1.00 0.00 H new ATOM 0 HB3 GLN A 9 164.522 -11.710 3.868 1.00 0.00 H new ATOM 0 HG2 GLN A 9 165.375 -12.996 5.483 1.00 0.00 H new ATOM 0 HG3 GLN A 9 166.999 -12.648 4.922 1.00 0.00 H new ATOM 0 HE21 GLN A 9 166.971 -9.792 5.455 1.00 0.00 H new ATOM 0 HE22 GLN A 9 167.010 -9.600 7.211 1.00 0.00 H new ATOM 148 N MET A 10 165.954 -8.910 2.466 1.00 0.00 N ATOM 149 CA MET A 10 165.507 -7.754 1.698 1.00 0.00 C ATOM 150 C MET A 10 166.379 -7.553 0.461 1.00 0.00 C ATOM 151 O MET A 10 167.563 -7.236 0.569 1.00 0.00 O ATOM 152 CB MET A 10 165.537 -6.501 2.579 1.00 0.00 C ATOM 153 CG MET A 10 165.476 -5.193 1.804 1.00 0.00 C ATOM 154 SD MET A 10 164.055 -5.105 0.696 1.00 0.00 S ATOM 155 CE MET A 10 162.703 -5.343 1.847 1.00 0.00 C ATOM 0 H MET A 10 166.321 -8.684 3.391 1.00 0.00 H new ATOM 0 HA MET A 10 164.484 -7.933 1.366 1.00 0.00 H new ATOM 0 HB2 MET A 10 164.698 -6.538 3.274 1.00 0.00 H new ATOM 0 HB3 MET A 10 166.447 -6.513 3.178 1.00 0.00 H new ATOM 0 HG2 MET A 10 165.436 -4.361 2.507 1.00 0.00 H new ATOM 0 HG3 MET A 10 166.391 -5.076 1.224 1.00 0.00 H new ATOM 0 HE1 MET A 10 162.159 -6.251 1.587 1.00 0.00 H new ATOM 0 HE2 MET A 10 163.098 -5.434 2.859 1.00 0.00 H new ATOM 0 HE3 MET A 10 162.028 -4.489 1.797 1.00 0.00 H new ATOM 165 N GLU A 11 165.783 -7.730 -0.713 1.00 0.00 N ATOM 166 CA GLU A 11 166.505 -7.561 -1.969 1.00 0.00 C ATOM 167 C GLU A 11 166.857 -6.093 -2.191 1.00 0.00 C ATOM 168 O GLU A 11 166.479 -5.231 -1.399 1.00 0.00 O ATOM 169 CB GLU A 11 165.668 -8.079 -3.143 1.00 0.00 C ATOM 170 CG GLU A 11 164.868 -9.332 -2.820 1.00 0.00 C ATOM 171 CD GLU A 11 163.416 -9.033 -2.505 1.00 0.00 C ATOM 172 OE1 GLU A 11 162.715 -8.502 -3.391 1.00 0.00 O ATOM 173 OE2 GLU A 11 162.979 -9.332 -1.373 1.00 0.00 O ATOM 0 H GLU A 11 164.803 -7.990 -0.821 1.00 0.00 H new ATOM 0 HA GLU A 11 167.427 -8.139 -1.911 1.00 0.00 H new ATOM 0 HB2 GLU A 11 164.983 -7.294 -3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 11 166.329 -8.288 -3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 11 164.918 -10.018 -3.665 1.00 0.00 H new ATOM 0 HG3 GLU A 11 165.323 -9.840 -1.970 1.00 0.00 H new ATOM 180 N ILE A 12 167.574 -5.811 -3.275 1.00 0.00 N ATOM 181 CA ILE A 12 167.961 -4.436 -3.590 1.00 0.00 C ATOM 182 C ILE A 12 166.912 -3.778 -4.476 1.00 0.00 C ATOM 183 O ILE A 12 166.837 -4.046 -5.674 1.00 0.00 O ATOM 184 CB ILE A 12 169.347 -4.332 -4.288 1.00 0.00 C ATOM 185 CG1 ILE A 12 169.899 -5.714 -4.666 1.00 0.00 C ATOM 186 CG2 ILE A 12 170.333 -3.596 -3.395 1.00 0.00 C ATOM 187 CD1 ILE A 12 170.283 -6.565 -3.473 1.00 0.00 C ATOM 0 H ILE A 12 167.897 -6.508 -3.946 1.00 0.00 H new ATOM 0 HA ILE A 12 168.034 -3.919 -2.633 1.00 0.00 H new ATOM 0 HB ILE A 12 169.210 -3.768 -5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 12 169.151 -6.246 -5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 12 170.773 -5.584 -5.304 1.00 0.00 H new ATOM 0 HG21 ILE A 12 171.299 -3.530 -3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.961 -2.592 -3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 12 170.447 -4.137 -2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 12 170.664 -7.526 -3.819 1.00 0.00 H new ATOM 0 HD12 ILE A 12 171.054 -6.055 -2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 12 169.407 -6.727 -2.845 1.00 0.00 H new ATOM 199 N THR A 13 166.101 -2.914 -3.875 1.00 0.00 N ATOM 200 CA THR A 13 165.054 -2.219 -4.609 1.00 0.00 C ATOM 201 C THR A 13 165.649 -1.130 -5.493 1.00 0.00 C ATOM 202 O THR A 13 166.724 -0.604 -5.205 1.00 0.00 O ATOM 203 CB THR A 13 164.037 -1.615 -3.639 1.00 0.00 C ATOM 204 OG1 THR A 13 164.543 -0.426 -3.060 1.00 0.00 O ATOM 205 CG2 THR A 13 163.656 -2.548 -2.510 1.00 0.00 C ATOM 0 H THR A 13 166.150 -2.680 -2.883 1.00 0.00 H new ATOM 0 HA THR A 13 164.545 -2.941 -5.247 1.00 0.00 H new ATOM 0 HB THR A 13 163.149 -1.417 -4.239 1.00 0.00 H new ATOM 0 HG1 THR A 13 163.827 0.031 -2.571 1.00 0.00 H new ATOM 0 HG21 THR A 13 162.932 -2.056 -1.860 1.00 0.00 H new ATOM 0 HG22 THR A 13 163.216 -3.456 -2.921 1.00 0.00 H new ATOM 0 HG23 THR A 13 164.545 -2.804 -1.934 1.00 0.00 H new ATOM 213 N PRO A 14 164.956 -0.773 -6.587 1.00 0.00 N ATOM 214 CA PRO A 14 165.420 0.261 -7.514 1.00 0.00 C ATOM 215 C PRO A 14 165.772 1.557 -6.794 1.00 0.00 C ATOM 216 O PRO A 14 166.736 2.235 -7.150 1.00 0.00 O ATOM 217 CB PRO A 14 164.230 0.473 -8.464 1.00 0.00 C ATOM 218 CG PRO A 14 163.077 -0.234 -7.828 1.00 0.00 C ATOM 219 CD PRO A 14 163.669 -1.341 -7.007 1.00 0.00 C ATOM 0 HA PRO A 14 166.332 -0.038 -8.031 1.00 0.00 H new ATOM 0 HB2 PRO A 14 164.016 1.534 -8.594 1.00 0.00 H new ATOM 0 HB3 PRO A 14 164.441 0.067 -9.453 1.00 0.00 H new ATOM 0 HG2 PRO A 14 162.498 0.447 -7.204 1.00 0.00 H new ATOM 0 HG3 PRO A 14 162.398 -0.629 -8.583 1.00 0.00 H new ATOM 0 HD2 PRO A 14 163.040 -1.594 -6.154 1.00 0.00 H new ATOM 0 HD3 PRO A 14 163.799 -2.253 -7.589 1.00 0.00 H new ATOM 227 N ALA A 15 164.987 1.894 -5.776 1.00 0.00 N ATOM 228 CA ALA A 15 165.217 3.107 -5.003 1.00 0.00 C ATOM 229 C ALA A 15 166.500 3.002 -4.185 1.00 0.00 C ATOM 230 O ALA A 15 167.356 3.885 -4.238 1.00 0.00 O ATOM 231 CB ALA A 15 164.029 3.385 -4.093 1.00 0.00 C ATOM 0 H ALA A 15 164.186 1.343 -5.468 1.00 0.00 H new ATOM 0 HA ALA A 15 165.329 3.937 -5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 15 164.214 4.294 -3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 15 163.130 3.512 -4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 15 163.891 2.548 -3.409 1.00 0.00 H new ATOM 237 N ILE A 16 166.627 1.914 -3.431 1.00 0.00 N ATOM 238 CA ILE A 16 167.807 1.693 -2.603 1.00 0.00 C ATOM 239 C ILE A 16 169.055 1.524 -3.464 1.00 0.00 C ATOM 240 O ILE A 16 170.076 2.171 -3.228 1.00 0.00 O ATOM 241 CB ILE A 16 167.641 0.450 -1.703 1.00 0.00 C ATOM 242 CG1 ILE A 16 166.408 0.603 -0.809 1.00 0.00 C ATOM 243 CG2 ILE A 16 168.892 0.229 -0.859 1.00 0.00 C ATOM 244 CD1 ILE A 16 166.199 -0.560 0.139 1.00 0.00 C ATOM 0 H ILE A 16 165.928 1.173 -3.377 1.00 0.00 H new ATOM 0 HA ILE A 16 167.921 2.574 -1.971 1.00 0.00 H new ATOM 0 HB ILE A 16 167.501 -0.423 -2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 16 166.501 1.521 -0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 16 165.524 0.712 -1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 16 168.756 -0.652 -0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 16 169.751 0.079 -1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 16 169.064 1.101 -0.228 1.00 0.00 H new ATOM 0 HD11 ILE A 16 165.308 -0.383 0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 16 166.073 -1.479 -0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 16 167.065 -0.656 0.793 1.00 0.00 H new ATOM 256 N ARG A 17 168.969 0.648 -4.460 1.00 0.00 N ATOM 257 CA ARG A 17 170.095 0.390 -5.351 1.00 0.00 C ATOM 258 C ARG A 17 170.609 1.688 -5.975 1.00 0.00 C ATOM 259 O ARG A 17 171.809 1.840 -6.204 1.00 0.00 O ATOM 260 CB ARG A 17 169.687 -0.608 -6.441 1.00 0.00 C ATOM 261 CG ARG A 17 170.671 -0.696 -7.600 1.00 0.00 C ATOM 262 CD ARG A 17 170.231 -1.728 -8.626 1.00 0.00 C ATOM 263 NE ARG A 17 170.822 -1.478 -9.939 1.00 0.00 N ATOM 264 CZ ARG A 17 170.402 -2.058 -11.061 1.00 0.00 C ATOM 265 NH1 ARG A 17 169.396 -2.921 -11.034 1.00 0.00 N ATOM 266 NH2 ARG A 17 170.991 -1.773 -12.215 1.00 0.00 N ATOM 0 H ARG A 17 168.132 0.105 -4.670 1.00 0.00 H new ATOM 0 HA ARG A 17 170.905 -0.043 -4.764 1.00 0.00 H new ATOM 0 HB2 ARG A 17 169.580 -1.596 -5.993 1.00 0.00 H new ATOM 0 HB3 ARG A 17 168.708 -0.326 -6.829 1.00 0.00 H new ATOM 0 HG2 ARG A 17 170.760 0.279 -8.078 1.00 0.00 H new ATOM 0 HG3 ARG A 17 171.659 -0.956 -7.221 1.00 0.00 H new ATOM 0 HD2 ARG A 17 170.514 -2.723 -8.284 1.00 0.00 H new ATOM 0 HD3 ARG A 17 169.144 -1.717 -8.709 1.00 0.00 H new ATOM 0 HE ARG A 17 171.601 -0.822 -9.999 1.00 0.00 H new ATOM 0 HH11 ARG A 17 168.939 -3.144 -10.150 1.00 0.00 H new ATOM 0 HH12 ARG A 17 169.079 -3.362 -11.897 1.00 0.00 H new ATOM 0 HH21 ARG A 17 171.765 -1.110 -12.242 1.00 0.00 H new ATOM 0 HH22 ARG A 17 170.670 -2.217 -13.075 1.00 0.00 H new ATOM 280 N GLN A 18 169.701 2.621 -6.245 1.00 0.00 N ATOM 281 CA GLN A 18 170.080 3.899 -6.837 1.00 0.00 C ATOM 282 C GLN A 18 170.816 4.770 -5.823 1.00 0.00 C ATOM 283 O GLN A 18 171.835 5.385 -6.141 1.00 0.00 O ATOM 284 CB GLN A 18 168.844 4.637 -7.362 1.00 0.00 C ATOM 285 CG GLN A 18 168.918 4.973 -8.843 1.00 0.00 C ATOM 286 CD GLN A 18 169.304 3.780 -9.697 1.00 0.00 C ATOM 287 OE1 GLN A 18 170.084 3.903 -10.641 1.00 0.00 O ATOM 288 NE2 GLN A 18 168.756 2.615 -9.370 1.00 0.00 N ATOM 0 H GLN A 18 168.703 2.517 -6.064 1.00 0.00 H new ATOM 0 HA GLN A 18 170.750 3.697 -7.672 1.00 0.00 H new ATOM 0 HB2 GLN A 18 167.961 4.024 -7.181 1.00 0.00 H new ATOM 0 HB3 GLN A 18 168.714 5.559 -6.795 1.00 0.00 H new ATOM 0 HG2 GLN A 18 167.951 5.353 -9.174 1.00 0.00 H new ATOM 0 HG3 GLN A 18 169.644 5.772 -8.994 1.00 0.00 H new ATOM 0 HE21 GLN A 18 168.114 2.557 -8.579 1.00 0.00 H new ATOM 0 HE22 GLN A 18 168.977 1.778 -9.909 1.00 0.00 H new ATOM 297 N HIS A 19 170.296 4.819 -4.600 1.00 0.00 N ATOM 298 CA HIS A 19 170.907 5.615 -3.541 1.00 0.00 C ATOM 299 C HIS A 19 172.365 5.217 -3.330 1.00 0.00 C ATOM 300 O HIS A 19 173.247 6.071 -3.241 1.00 0.00 O ATOM 301 CB HIS A 19 170.123 5.452 -2.237 1.00 0.00 C ATOM 302 CG HIS A 19 169.436 6.706 -1.790 1.00 0.00 C ATOM 303 ND1 HIS A 19 168.630 7.459 -2.617 1.00 0.00 N ATOM 304 CD2 HIS A 19 169.434 7.336 -0.591 1.00 0.00 C ATOM 305 CE1 HIS A 19 168.165 8.499 -1.946 1.00 0.00 C ATOM 306 NE2 HIS A 19 168.638 8.447 -0.716 1.00 0.00 N ATOM 0 H HIS A 19 169.454 4.317 -4.318 1.00 0.00 H new ATOM 0 HA HIS A 19 170.879 6.662 -3.844 1.00 0.00 H new ATOM 0 HB2 HIS A 19 169.379 4.666 -2.366 1.00 0.00 H new ATOM 0 HB3 HIS A 19 170.804 5.121 -1.453 1.00 0.00 H new ATOM 0 HD2 HIS A 19 169.961 7.022 0.298 1.00 0.00 H new ATOM 0 HE1 HIS A 19 167.509 9.262 -2.339 1.00 0.00 H new ATOM 0 HE2 HIS A 19 168.444 9.123 0.023 1.00 0.00 H new ATOM 315 N VAL A 20 172.613 3.912 -3.258 1.00 0.00 N ATOM 316 CA VAL A 20 173.966 3.406 -3.064 1.00 0.00 C ATOM 317 C VAL A 20 174.832 3.693 -4.287 1.00 0.00 C ATOM 318 O VAL A 20 176.035 3.934 -4.164 1.00 0.00 O ATOM 319 CB VAL A 20 173.961 1.886 -2.779 1.00 0.00 C ATOM 320 CG1 VAL A 20 175.378 1.327 -2.776 1.00 0.00 C ATOM 321 CG2 VAL A 20 173.266 1.597 -1.457 1.00 0.00 C ATOM 0 H VAL A 20 171.897 3.189 -3.331 1.00 0.00 H new ATOM 0 HA VAL A 20 174.385 3.921 -2.200 1.00 0.00 H new ATOM 0 HB VAL A 20 173.407 1.391 -3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 20 175.346 0.256 -2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 20 175.839 1.499 -3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 20 175.964 1.825 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 20 173.271 0.523 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 20 173.792 2.108 -0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 20 172.237 1.953 -1.502 1.00 0.00 H new ATOM 331 N ALA A 21 174.215 3.671 -5.464 1.00 0.00 N ATOM 332 CA ALA A 21 174.930 3.931 -6.710 1.00 0.00 C ATOM 333 C ALA A 21 175.671 5.263 -6.656 1.00 0.00 C ATOM 334 O ALA A 21 176.897 5.309 -6.751 1.00 0.00 O ATOM 335 CB ALA A 21 173.963 3.912 -7.885 1.00 0.00 C ATOM 0 H ALA A 21 173.221 3.476 -5.582 1.00 0.00 H new ATOM 0 HA ALA A 21 175.669 3.141 -6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 21 174.508 4.107 -8.808 1.00 0.00 H new ATOM 0 HB2 ALA A 21 173.484 2.935 -7.946 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.203 4.680 -7.743 1.00 0.00 H new ATOM 341 N ASP A 22 174.916 6.346 -6.502 1.00 0.00 N ATOM 342 CA ASP A 22 175.501 7.681 -6.436 1.00 0.00 C ATOM 343 C ASP A 22 176.444 7.802 -5.245 1.00 0.00 C ATOM 344 O ASP A 22 177.445 8.518 -5.303 1.00 0.00 O ATOM 345 CB ASP A 22 174.399 8.737 -6.341 1.00 0.00 C ATOM 346 CG ASP A 22 173.633 8.890 -7.641 1.00 0.00 C ATOM 347 OD1 ASP A 22 172.684 8.109 -7.864 1.00 0.00 O ATOM 348 OD2 ASP A 22 173.984 9.787 -8.436 1.00 0.00 O ATOM 0 H ASP A 22 173.899 6.326 -6.421 1.00 0.00 H new ATOM 0 HA ASP A 22 176.075 7.847 -7.348 1.00 0.00 H new ATOM 0 HB2 ASP A 22 173.707 8.465 -5.544 1.00 0.00 H new ATOM 0 HB3 ASP A 22 174.840 9.695 -6.067 1.00 0.00 H new ATOM 353 N ARG A 23 176.120 7.099 -4.166 1.00 0.00 N ATOM 354 CA ARG A 23 176.940 7.127 -2.961 1.00 0.00 C ATOM 355 C ARG A 23 178.268 6.411 -3.187 1.00 0.00 C ATOM 356 O ARG A 23 179.316 6.864 -2.725 1.00 0.00 O ATOM 357 CB ARG A 23 176.188 6.484 -1.794 1.00 0.00 C ATOM 358 CG ARG A 23 175.496 7.489 -0.888 1.00 0.00 C ATOM 359 CD ARG A 23 174.539 8.378 -1.667 1.00 0.00 C ATOM 360 NE ARG A 23 174.169 9.573 -0.912 1.00 0.00 N ATOM 361 CZ ARG A 23 173.316 9.569 0.111 1.00 0.00 C ATOM 362 NH1 ARG A 23 172.735 8.439 0.494 1.00 0.00 N ATOM 363 NH2 ARG A 23 173.043 10.698 0.751 1.00 0.00 N ATOM 0 H ARG A 23 175.295 6.503 -4.101 1.00 0.00 H new ATOM 0 HA ARG A 23 177.150 8.169 -2.718 1.00 0.00 H new ATOM 0 HB2 ARG A 23 175.445 5.792 -2.189 1.00 0.00 H new ATOM 0 HB3 ARG A 23 176.889 5.895 -1.202 1.00 0.00 H new ATOM 0 HG2 ARG A 23 174.949 6.960 -0.108 1.00 0.00 H new ATOM 0 HG3 ARG A 23 176.244 8.106 -0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 23 175.002 8.672 -2.609 1.00 0.00 H new ATOM 0 HD3 ARG A 23 173.641 7.813 -1.916 1.00 0.00 H new ATOM 0 HE ARG A 23 174.588 10.462 -1.184 1.00 0.00 H new ATOM 0 HH11 ARG A 23 172.941 7.568 0.004 1.00 0.00 H new ATOM 0 HH12 ARG A 23 172.083 8.441 1.278 1.00 0.00 H new ATOM 0 HH21 ARG A 23 173.486 11.569 0.460 1.00 0.00 H new ATOM 0 HH22 ARG A 23 172.390 10.695 1.534 1.00 0.00 H new ATOM 377 N LEU A 24 178.218 5.288 -3.899 1.00 0.00 N ATOM 378 CA LEU A 24 179.419 4.512 -4.184 1.00 0.00 C ATOM 379 C LEU A 24 180.394 5.314 -5.041 1.00 0.00 C ATOM 380 O LEU A 24 181.566 5.456 -4.694 1.00 0.00 O ATOM 381 CB LEU A 24 179.051 3.204 -4.890 1.00 0.00 C ATOM 382 CG LEU A 24 179.716 1.949 -4.318 1.00 0.00 C ATOM 383 CD1 LEU A 24 179.484 1.860 -2.817 1.00 0.00 C ATOM 384 CD2 LEU A 24 179.194 0.703 -5.015 1.00 0.00 C ATOM 0 H LEU A 24 177.360 4.897 -4.288 1.00 0.00 H new ATOM 0 HA LEU A 24 179.906 4.279 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 24 177.969 3.076 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 24 179.318 3.290 -5.943 1.00 0.00 H new ATOM 0 HG LEU A 24 180.789 2.017 -4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 24 179.964 0.962 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 24 179.908 2.738 -2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 24 178.414 1.816 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 24 179.678 -0.179 -4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 24 178.116 0.629 -4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 24 179.413 0.764 -6.081 1.00 0.00 H new ATOM 396 N ALA A 25 179.900 5.834 -6.159 1.00 0.00 N ATOM 397 CA ALA A 25 180.727 6.622 -7.062 1.00 0.00 C ATOM 398 C ALA A 25 181.282 7.857 -6.357 1.00 0.00 C ATOM 399 O ALA A 25 182.483 8.121 -6.400 1.00 0.00 O ATOM 400 CB ALA A 25 179.929 7.025 -8.293 1.00 0.00 C ATOM 0 H ALA A 25 178.932 5.724 -6.461 1.00 0.00 H new ATOM 0 HA ALA A 25 181.569 6.006 -7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 25 180.560 7.614 -8.959 1.00 0.00 H new ATOM 0 HB2 ALA A 25 179.587 6.131 -8.814 1.00 0.00 H new ATOM 0 HB3 ALA A 25 179.068 7.620 -7.989 1.00 0.00 H new ATOM 406 N LYS A 26 180.399 8.607 -5.703 1.00 0.00 N ATOM 407 CA LYS A 26 180.803 9.810 -4.982 1.00 0.00 C ATOM 408 C LYS A 26 181.837 9.477 -3.913 1.00 0.00 C ATOM 409 O LYS A 26 182.812 10.207 -3.728 1.00 0.00 O ATOM 410 CB LYS A 26 179.585 10.478 -4.338 1.00 0.00 C ATOM 411 CG LYS A 26 179.922 11.733 -3.550 1.00 0.00 C ATOM 412 CD LYS A 26 178.681 12.347 -2.922 1.00 0.00 C ATOM 413 CE LYS A 26 178.956 12.848 -1.514 1.00 0.00 C ATOM 414 NZ LYS A 26 178.119 14.030 -1.169 1.00 0.00 N ATOM 0 H LYS A 26 179.401 8.403 -5.658 1.00 0.00 H new ATOM 0 HA LYS A 26 181.251 10.500 -5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 26 178.866 10.731 -5.117 1.00 0.00 H new ATOM 0 HB3 LYS A 26 179.098 9.763 -3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 26 180.644 11.491 -2.770 1.00 0.00 H new ATOM 0 HG3 LYS A 26 180.396 12.461 -4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 26 178.330 13.173 -3.541 1.00 0.00 H new ATOM 0 HD3 LYS A 26 177.882 11.607 -2.896 1.00 0.00 H new ATOM 0 HE2 LYS A 26 178.764 12.047 -0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 26 180.010 13.111 -1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 178.338 14.340 -0.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 178.320 14.804 -1.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 177.113 13.773 -1.231 1.00 0.00 H new ATOM 428 N LEU A 27 181.617 8.370 -3.213 1.00 0.00 N ATOM 429 CA LEU A 27 182.528 7.935 -2.161 1.00 0.00 C ATOM 430 C LEU A 27 183.896 7.579 -2.737 1.00 0.00 C ATOM 431 O LEU A 27 184.909 7.652 -2.044 1.00 0.00 O ATOM 432 CB LEU A 27 181.935 6.731 -1.418 1.00 0.00 C ATOM 433 CG LEU A 27 182.811 6.141 -0.305 1.00 0.00 C ATOM 434 CD1 LEU A 27 183.895 5.251 -0.891 1.00 0.00 C ATOM 435 CD2 LEU A 27 183.425 7.242 0.547 1.00 0.00 C ATOM 0 H LEU A 27 180.815 7.757 -3.355 1.00 0.00 H new ATOM 0 HA LEU A 27 182.660 8.758 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 27 180.980 7.029 -0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 27 181.725 5.946 -2.145 1.00 0.00 H new ATOM 0 HG LEU A 27 182.175 5.532 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 27 184.505 4.842 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 27 183.434 4.435 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 27 184.524 5.837 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 27 184.041 6.797 1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 27 184.043 7.885 -0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 27 182.632 7.834 1.004 1.00 0.00 H new ATOM 447 N GLU A 28 183.920 7.196 -4.010 1.00 0.00 N ATOM 448 CA GLU A 28 185.169 6.834 -4.673 1.00 0.00 C ATOM 449 C GLU A 28 186.076 8.051 -4.833 1.00 0.00 C ATOM 450 O GLU A 28 187.295 7.916 -4.946 1.00 0.00 O ATOM 451 CB GLU A 28 184.882 6.212 -6.040 1.00 0.00 C ATOM 452 CG GLU A 28 186.090 5.524 -6.660 1.00 0.00 C ATOM 453 CD GLU A 28 186.306 5.918 -8.108 1.00 0.00 C ATOM 454 OE1 GLU A 28 186.433 7.129 -8.383 1.00 0.00 O ATOM 455 OE2 GLU A 28 186.350 5.014 -8.969 1.00 0.00 O ATOM 0 H GLU A 28 183.092 7.128 -4.602 1.00 0.00 H new ATOM 0 HA GLU A 28 185.683 6.103 -4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 28 184.074 5.488 -5.938 1.00 0.00 H new ATOM 0 HB3 GLU A 28 184.529 6.990 -6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 28 186.981 5.772 -6.083 1.00 0.00 H new ATOM 0 HG3 GLU A 28 185.960 4.444 -6.597 1.00 0.00 H new ATOM 462 N LYS A 29 185.476 9.239 -4.848 1.00 0.00 N ATOM 463 CA LYS A 29 186.233 10.478 -5.000 1.00 0.00 C ATOM 464 C LYS A 29 187.004 10.818 -3.726 1.00 0.00 C ATOM 465 O LYS A 29 188.002 11.538 -3.769 1.00 0.00 O ATOM 466 CB LYS A 29 185.294 11.630 -5.369 1.00 0.00 C ATOM 467 CG LYS A 29 186.018 12.921 -5.723 1.00 0.00 C ATOM 468 CD LYS A 29 186.204 13.063 -7.225 1.00 0.00 C ATOM 469 CE LYS A 29 185.089 13.885 -7.852 1.00 0.00 C ATOM 470 NZ LYS A 29 185.430 14.326 -9.234 1.00 0.00 N ATOM 0 H LYS A 29 184.468 9.369 -4.757 1.00 0.00 H new ATOM 0 HA LYS A 29 186.955 10.333 -5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 29 184.676 11.327 -6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 29 184.620 11.819 -4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 29 185.452 13.772 -5.344 1.00 0.00 H new ATOM 0 HG3 LYS A 29 186.991 12.940 -5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 29 187.165 13.536 -7.430 1.00 0.00 H new ATOM 0 HD3 LYS A 29 186.230 12.075 -7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 29 184.173 13.295 -7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 29 184.890 14.759 -7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 184.643 14.883 -9.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 186.290 14.911 -9.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 185.595 13.492 -9.834 1.00 0.00 H new ATOM 484 N TRP A 30 186.540 10.298 -2.592 1.00 0.00 N ATOM 485 CA TRP A 30 187.192 10.550 -1.309 1.00 0.00 C ATOM 486 C TRP A 30 188.678 10.215 -1.378 1.00 0.00 C ATOM 487 O TRP A 30 189.150 9.656 -2.367 1.00 0.00 O ATOM 488 CB TRP A 30 186.530 9.721 -0.205 1.00 0.00 C ATOM 489 CG TRP A 30 185.571 10.509 0.633 1.00 0.00 C ATOM 490 CD1 TRP A 30 184.222 10.609 0.454 1.00 0.00 C ATOM 491 CD2 TRP A 30 185.885 11.310 1.779 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.677 11.422 1.417 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.677 11.865 2.243 1.00 0.00 C ATOM 494 CE3 TRP A 30 187.070 11.610 2.461 1.00 0.00 C ATOM 495 CZ2 TRP A 30 184.620 12.703 3.353 1.00 0.00 C ATOM 496 CZ3 TRP A 30 187.010 12.441 3.562 1.00 0.00 C ATOM 497 CH2 TRP A 30 185.794 12.980 3.999 1.00 0.00 C ATOM 0 H TRP A 30 185.716 9.700 -2.535 1.00 0.00 H new ATOM 0 HA TRP A 30 187.083 11.610 -1.079 1.00 0.00 H new ATOM 0 HB2 TRP A 30 186.002 8.882 -0.658 1.00 0.00 H new ATOM 0 HB3 TRP A 30 187.304 9.301 0.438 1.00 0.00 H new ATOM 0 HD1 TRP A 30 183.664 10.120 -0.331 1.00 0.00 H new ATOM 0 HE1 TRP A 30 182.688 11.658 1.504 1.00 0.00 H new ATOM 0 HE3 TRP A 30 188.013 11.199 2.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 183.683 13.120 3.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 187.918 12.680 4.096 1.00 0.00 H new ATOM 0 HH2 TRP A 30 185.782 13.627 4.863 1.00 0.00 H new ATOM 508 N GLN A 31 189.406 10.543 -0.315 1.00 0.00 N ATOM 509 CA GLN A 31 190.833 10.255 -0.257 1.00 0.00 C ATOM 510 C GLN A 31 191.052 8.765 -0.037 1.00 0.00 C ATOM 511 O GLN A 31 191.624 8.346 0.970 1.00 0.00 O ATOM 512 CB GLN A 31 191.494 11.049 0.866 1.00 0.00 C ATOM 513 CG GLN A 31 191.686 12.523 0.544 1.00 0.00 C ATOM 514 CD GLN A 31 190.712 13.414 1.287 1.00 0.00 C ATOM 515 OE1 GLN A 31 190.999 13.882 2.390 1.00 0.00 O ATOM 516 NE2 GLN A 31 189.553 13.654 0.689 1.00 0.00 N ATOM 0 H GLN A 31 189.033 11.006 0.514 1.00 0.00 H new ATOM 0 HA GLN A 31 191.286 10.549 -1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 31 190.888 10.959 1.767 1.00 0.00 H new ATOM 0 HB3 GLN A 31 192.465 10.606 1.089 1.00 0.00 H new ATOM 0 HG2 GLN A 31 192.705 12.816 0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 31 191.566 12.675 -0.529 1.00 0.00 H new ATOM 0 HE21 GLN A 31 189.357 13.246 -0.225 1.00 0.00 H new ATOM 0 HE22 GLN A 31 188.858 14.247 1.143 1.00 0.00 H new ATOM 525 N THR A 32 190.577 7.972 -0.984 1.00 0.00 N ATOM 526 CA THR A 32 190.697 6.525 -0.908 1.00 0.00 C ATOM 527 C THR A 32 190.744 5.913 -2.307 1.00 0.00 C ATOM 528 O THR A 32 190.781 6.633 -3.304 1.00 0.00 O ATOM 529 CB THR A 32 189.525 5.949 -0.112 1.00 0.00 C ATOM 530 OG1 THR A 32 188.397 6.803 -0.193 1.00 0.00 O ATOM 531 CG2 THR A 32 189.841 5.748 1.355 1.00 0.00 C ATOM 0 H THR A 32 190.101 8.310 -1.821 1.00 0.00 H new ATOM 0 HA THR A 32 191.628 6.277 -0.399 1.00 0.00 H new ATOM 0 HB THR A 32 189.319 4.977 -0.561 1.00 0.00 H new ATOM 0 HG1 THR A 32 188.558 7.609 0.340 1.00 0.00 H new ATOM 0 HG21 THR A 32 188.968 5.337 1.862 1.00 0.00 H new ATOM 0 HG22 THR A 32 190.678 5.057 1.456 1.00 0.00 H new ATOM 0 HG23 THR A 32 190.105 6.705 1.805 1.00 0.00 H new ATOM 539 N HIS A 33 190.754 4.585 -2.376 1.00 0.00 N ATOM 540 CA HIS A 33 190.810 3.890 -3.659 1.00 0.00 C ATOM 541 C HIS A 33 189.519 3.124 -3.937 1.00 0.00 C ATOM 542 O HIS A 33 188.980 3.178 -5.042 1.00 0.00 O ATOM 543 CB HIS A 33 191.999 2.927 -3.686 1.00 0.00 C ATOM 544 CG HIS A 33 193.325 3.601 -3.506 1.00 0.00 C ATOM 545 ND1 HIS A 33 194.522 2.915 -3.483 1.00 0.00 N ATOM 546 CD2 HIS A 33 193.642 4.908 -3.341 1.00 0.00 C ATOM 547 CE1 HIS A 33 195.514 3.768 -3.308 1.00 0.00 C ATOM 548 NE2 HIS A 33 195.008 4.984 -3.221 1.00 0.00 N ATOM 0 H HIS A 33 190.724 3.970 -1.563 1.00 0.00 H new ATOM 0 HA HIS A 33 190.933 4.642 -4.438 1.00 0.00 H new ATOM 0 HB2 HIS A 33 191.870 2.183 -2.900 1.00 0.00 H new ATOM 0 HB3 HIS A 33 192.000 2.391 -4.635 1.00 0.00 H new ATOM 0 HD2 HIS A 33 192.949 5.736 -3.310 1.00 0.00 H new ATOM 0 HE1 HIS A 33 196.562 3.514 -3.246 1.00 0.00 H new ATOM 0 HE2 HIS A 33 195.544 5.841 -3.086 1.00 0.00 H new ATOM 557 N LEU A 34 189.029 2.409 -2.928 1.00 0.00 N ATOM 558 CA LEU A 34 187.803 1.627 -3.069 1.00 0.00 C ATOM 559 C LEU A 34 187.937 0.614 -4.197 1.00 0.00 C ATOM 560 O LEU A 34 187.796 0.952 -5.373 1.00 0.00 O ATOM 561 CB LEU A 34 186.606 2.542 -3.331 1.00 0.00 C ATOM 562 CG LEU A 34 186.430 3.689 -2.334 1.00 0.00 C ATOM 563 CD1 LEU A 34 186.572 3.188 -0.904 1.00 0.00 C ATOM 564 CD2 LEU A 34 187.437 4.791 -2.617 1.00 0.00 C ATOM 0 H LEU A 34 189.461 2.355 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 34 187.638 1.091 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 34 186.704 2.964 -4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 34 185.699 1.937 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 34 185.426 4.097 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 34 186.443 4.021 -0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 34 185.813 2.431 -0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 34 187.562 2.753 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 34 187.301 5.601 -1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 34 188.447 4.392 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 34 187.286 5.171 -3.627 1.00 0.00 H new ATOM 576 N ILE A 35 188.213 -0.630 -3.831 1.00 0.00 N ATOM 577 CA ILE A 35 188.373 -1.697 -4.812 1.00 0.00 C ATOM 578 C ILE A 35 187.230 -2.705 -4.734 1.00 0.00 C ATOM 579 O ILE A 35 186.562 -2.978 -5.731 1.00 0.00 O ATOM 580 CB ILE A 35 189.709 -2.452 -4.634 1.00 0.00 C ATOM 581 CG1 ILE A 35 190.708 -1.620 -3.821 1.00 0.00 C ATOM 582 CG2 ILE A 35 190.297 -2.813 -5.991 1.00 0.00 C ATOM 583 CD1 ILE A 35 191.184 -0.374 -4.536 1.00 0.00 C ATOM 0 H ILE A 35 188.331 -0.926 -2.862 1.00 0.00 H new ATOM 0 HA ILE A 35 188.366 -1.211 -5.788 1.00 0.00 H new ATOM 0 HB ILE A 35 189.509 -3.371 -4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 35 190.245 -1.332 -2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 35 191.570 -2.240 -3.577 1.00 0.00 H new ATOM 0 HG21 ILE A 35 191.238 -3.345 -5.850 1.00 0.00 H new ATOM 0 HG22 ILE A 35 189.598 -3.450 -6.533 1.00 0.00 H new ATOM 0 HG23 ILE A 35 190.477 -1.903 -6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 35 191.888 0.164 -3.901 1.00 0.00 H new ATOM 0 HD12 ILE A 35 191.677 -0.655 -5.467 1.00 0.00 H new ATOM 0 HD13 ILE A 35 190.331 0.267 -4.756 1.00 0.00 H new ATOM 595 N ASN A 36 187.021 -3.264 -3.547 1.00 0.00 N ATOM 596 CA ASN A 36 185.972 -4.254 -3.343 1.00 0.00 C ATOM 597 C ASN A 36 184.832 -3.701 -2.490 1.00 0.00 C ATOM 598 O ASN A 36 184.821 -3.864 -1.270 1.00 0.00 O ATOM 599 CB ASN A 36 186.555 -5.502 -2.679 1.00 0.00 C ATOM 600 CG ASN A 36 187.581 -6.195 -3.556 1.00 0.00 C ATOM 601 OD1 ASN A 36 187.754 -5.845 -4.723 1.00 0.00 O ATOM 602 ND2 ASN A 36 188.269 -7.183 -2.993 1.00 0.00 N ATOM 0 H ASN A 36 187.565 -3.048 -2.712 1.00 0.00 H new ATOM 0 HA ASN A 36 185.565 -4.513 -4.321 1.00 0.00 H new ATOM 0 HB2 ASN A 36 187.018 -5.224 -1.732 1.00 0.00 H new ATOM 0 HB3 ASN A 36 185.749 -6.198 -2.448 1.00 0.00 H new ATOM 0 HD21 ASN A 36 188.974 -7.685 -3.532 1.00 0.00 H new ATOM 0 HD22 ASN A 36 188.092 -7.439 -2.022 1.00 0.00 H new ATOM 609 N PRO A 37 183.847 -3.042 -3.126 1.00 0.00 N ATOM 610 CA PRO A 37 182.696 -2.471 -2.427 1.00 0.00 C ATOM 611 C PRO A 37 181.625 -3.516 -2.127 1.00 0.00 C ATOM 612 O PRO A 37 180.864 -3.910 -3.011 1.00 0.00 O ATOM 613 CB PRO A 37 182.169 -1.446 -3.426 1.00 0.00 C ATOM 614 CG PRO A 37 182.502 -2.021 -4.760 1.00 0.00 C ATOM 615 CD PRO A 37 183.778 -2.804 -4.582 1.00 0.00 C ATOM 0 HA PRO A 37 182.966 -2.053 -1.457 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.095 -1.298 -3.314 1.00 0.00 H new ATOM 0 HB3 PRO A 37 182.641 -0.474 -3.284 1.00 0.00 H new ATOM 0 HG2 PRO A 37 181.698 -2.665 -5.116 1.00 0.00 H new ATOM 0 HG3 PRO A 37 182.631 -1.232 -5.501 1.00 0.00 H new ATOM 0 HD2 PRO A 37 183.753 -3.740 -5.139 1.00 0.00 H new ATOM 0 HD3 PRO A 37 184.643 -2.244 -4.937 1.00 0.00 H new ATOM 623 N HIS A 38 181.572 -3.964 -0.877 1.00 0.00 N ATOM 624 CA HIS A 38 180.593 -4.965 -0.467 1.00 0.00 C ATOM 625 C HIS A 38 179.341 -4.302 0.102 1.00 0.00 C ATOM 626 O HIS A 38 179.367 -3.746 1.198 1.00 0.00 O ATOM 627 CB HIS A 38 181.201 -5.913 0.569 1.00 0.00 C ATOM 628 CG HIS A 38 181.209 -7.346 0.136 1.00 0.00 C ATOM 629 ND1 HIS A 38 182.357 -8.109 0.078 1.00 0.00 N ATOM 630 CD2 HIS A 38 180.201 -8.157 -0.262 1.00 0.00 C ATOM 631 CE1 HIS A 38 182.053 -9.326 -0.335 1.00 0.00 C ATOM 632 NE2 HIS A 38 180.751 -9.381 -0.548 1.00 0.00 N ATOM 0 H HIS A 38 182.194 -3.651 -0.132 1.00 0.00 H new ATOM 0 HA HIS A 38 180.308 -5.539 -1.349 1.00 0.00 H new ATOM 0 HB2 HIS A 38 182.223 -5.600 0.780 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.642 -5.827 1.501 1.00 0.00 H new ATOM 0 HD2 HIS A 38 179.157 -7.890 -0.340 1.00 0.00 H new ATOM 0 HE1 HIS A 38 182.751 -10.138 -0.475 1.00 0.00 H new ATOM 0 HE2 HIS A 38 180.238 -10.200 -0.872 1.00 0.00 H new ATOM 641 N ILE A 39 178.250 -4.364 -0.650 1.00 0.00 N ATOM 642 CA ILE A 39 176.991 -3.767 -0.219 1.00 0.00 C ATOM 643 C ILE A 39 176.009 -4.839 0.249 1.00 0.00 C ATOM 644 O ILE A 39 175.525 -5.643 -0.547 1.00 0.00 O ATOM 645 CB ILE A 39 176.348 -2.937 -1.353 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.254 -1.761 -1.729 1.00 0.00 C ATOM 647 CG2 ILE A 39 174.971 -2.433 -0.942 1.00 0.00 C ATOM 648 CD1 ILE A 39 178.560 -2.178 -2.371 1.00 0.00 C ATOM 0 H ILE A 39 178.210 -4.821 -1.561 1.00 0.00 H new ATOM 0 HA ILE A 39 177.217 -3.104 0.616 1.00 0.00 H new ATOM 0 HB ILE A 39 176.229 -3.582 -2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 39 176.717 -1.105 -2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 39 177.470 -1.179 -0.833 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.538 -1.852 -1.756 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.325 -3.282 -0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 39 175.063 -1.804 -0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 39 179.148 -1.291 -2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 39 179.119 -2.810 -1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 39 178.355 -2.734 -3.286 1.00 0.00 H new ATOM 660 N ILE A 40 175.725 -4.843 1.548 1.00 0.00 N ATOM 661 CA ILE A 40 174.803 -5.812 2.127 1.00 0.00 C ATOM 662 C ILE A 40 173.549 -5.126 2.662 1.00 0.00 C ATOM 663 O ILE A 40 173.585 -4.471 3.704 1.00 0.00 O ATOM 664 CB ILE A 40 175.468 -6.608 3.269 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.813 -7.174 2.808 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.553 -7.726 3.744 1.00 0.00 C ATOM 667 CD1 ILE A 40 177.651 -7.734 3.938 1.00 0.00 C ATOM 0 H ILE A 40 176.121 -4.185 2.219 1.00 0.00 H new ATOM 0 HA ILE A 40 174.525 -6.500 1.329 1.00 0.00 H new ATOM 0 HB ILE A 40 175.645 -5.932 4.106 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.635 -7.960 2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 40 177.375 -6.388 2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 40 175.039 -8.276 4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.618 -7.301 4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 40 174.346 -8.403 2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 40 178.590 -8.118 3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.859 -6.946 4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 40 177.108 -8.542 4.428 1.00 0.00 H new ATOM 679 N LEU A 41 172.443 -5.281 1.942 1.00 0.00 N ATOM 680 CA LEU A 41 171.178 -4.674 2.343 1.00 0.00 C ATOM 681 C LEU A 41 170.208 -5.737 2.857 1.00 0.00 C ATOM 682 O LEU A 41 169.572 -6.445 2.076 1.00 0.00 O ATOM 683 CB LEU A 41 170.564 -3.916 1.159 1.00 0.00 C ATOM 684 CG LEU A 41 169.095 -3.504 1.321 1.00 0.00 C ATOM 685 CD1 LEU A 41 168.980 -2.007 1.565 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.294 -3.905 0.092 1.00 0.00 C ATOM 0 H LEU A 41 172.396 -5.821 1.078 1.00 0.00 H new ATOM 0 HA LEU A 41 171.370 -3.970 3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.156 -3.018 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 41 170.651 -4.538 0.268 1.00 0.00 H new ATOM 0 HG LEU A 41 168.686 -4.024 2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 41 167.930 -1.736 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 41 169.522 -1.744 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 41 169.406 -1.467 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.254 -3.606 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 41 168.706 -3.411 -0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.347 -4.986 -0.040 1.00 0.00 H new ATOM 698 N SER A 42 170.113 -5.849 4.179 1.00 0.00 N ATOM 699 CA SER A 42 169.237 -6.831 4.809 1.00 0.00 C ATOM 700 C SER A 42 168.100 -6.152 5.568 1.00 0.00 C ATOM 701 O SER A 42 168.102 -4.935 5.743 1.00 0.00 O ATOM 702 CB SER A 42 170.045 -7.719 5.756 1.00 0.00 C ATOM 703 OG SER A 42 170.971 -8.515 5.036 1.00 0.00 O ATOM 0 H SER A 42 170.634 -5.269 4.837 1.00 0.00 H new ATOM 0 HA SER A 42 168.797 -7.447 4.024 1.00 0.00 H new ATOM 0 HB2 SER A 42 170.576 -7.099 6.478 1.00 0.00 H new ATOM 0 HB3 SER A 42 169.371 -8.361 6.323 1.00 0.00 H new ATOM 0 HG SER A 42 171.677 -8.823 5.641 1.00 0.00 H new ATOM 709 N LYS A 43 167.126 -6.944 6.009 1.00 0.00 N ATOM 710 CA LYS A 43 165.982 -6.411 6.743 1.00 0.00 C ATOM 711 C LYS A 43 166.091 -6.702 8.237 1.00 0.00 C ATOM 712 O LYS A 43 166.117 -7.862 8.654 1.00 0.00 O ATOM 713 CB LYS A 43 164.680 -7.002 6.196 1.00 0.00 C ATOM 714 CG LYS A 43 163.425 -6.370 6.781 1.00 0.00 C ATOM 715 CD LYS A 43 162.839 -7.224 7.895 1.00 0.00 C ATOM 716 CE LYS A 43 162.435 -8.600 7.387 1.00 0.00 C ATOM 717 NZ LYS A 43 161.221 -9.117 8.078 1.00 0.00 N ATOM 0 H LYS A 43 167.106 -7.954 5.871 1.00 0.00 H new ATOM 0 HA LYS A 43 165.977 -5.330 6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.665 -6.882 5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 43 164.665 -8.073 6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 43 163.662 -5.379 7.167 1.00 0.00 H new ATOM 0 HG3 LYS A 43 162.683 -6.237 5.994 1.00 0.00 H new ATOM 0 HD2 LYS A 43 163.570 -7.331 8.696 1.00 0.00 H new ATOM 0 HD3 LYS A 43 161.970 -6.722 8.321 1.00 0.00 H new ATOM 0 HE2 LYS A 43 162.248 -8.550 6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 43 163.260 -9.297 7.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 160.981 -10.056 7.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 161.407 -9.190 9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 160.426 -8.466 7.917 1.00 0.00 H new ATOM 731 N GLU A 44 166.144 -5.643 9.041 1.00 0.00 N ATOM 732 CA GLU A 44 166.237 -5.783 10.490 1.00 0.00 C ATOM 733 C GLU A 44 164.930 -5.357 11.157 1.00 0.00 C ATOM 734 O GLU A 44 164.314 -4.370 10.755 1.00 0.00 O ATOM 735 CB GLU A 44 167.395 -4.945 11.040 1.00 0.00 C ATOM 736 CG GLU A 44 168.472 -5.765 11.732 1.00 0.00 C ATOM 737 CD GLU A 44 169.566 -4.904 12.337 1.00 0.00 C ATOM 738 OE1 GLU A 44 169.423 -3.664 12.322 1.00 0.00 O ATOM 739 OE2 GLU A 44 170.568 -5.471 12.822 1.00 0.00 O ATOM 0 H GLU A 44 166.124 -4.678 8.712 1.00 0.00 H new ATOM 0 HA GLU A 44 166.423 -6.833 10.715 1.00 0.00 H new ATOM 0 HB2 GLU A 44 167.847 -4.386 10.221 1.00 0.00 H new ATOM 0 HB3 GLU A 44 166.999 -4.214 11.745 1.00 0.00 H new ATOM 0 HG2 GLU A 44 168.015 -6.369 12.516 1.00 0.00 H new ATOM 0 HG3 GLU A 44 168.914 -6.456 11.014 1.00 0.00 H new ATOM 746 N PRO A 45 164.488 -6.100 12.190 1.00 0.00 N ATOM 747 CA PRO A 45 163.260 -5.814 12.926 1.00 0.00 C ATOM 748 C PRO A 45 162.965 -4.321 13.041 1.00 0.00 C ATOM 749 O PRO A 45 161.850 -3.872 12.773 1.00 0.00 O ATOM 750 CB PRO A 45 163.542 -6.392 14.318 1.00 0.00 C ATOM 751 CG PRO A 45 164.744 -7.285 14.182 1.00 0.00 C ATOM 752 CD PRO A 45 165.148 -7.291 12.729 1.00 0.00 C ATOM 0 HA PRO A 45 162.390 -6.238 12.425 1.00 0.00 H new ATOM 0 HB2 PRO A 45 163.732 -5.595 15.036 1.00 0.00 H new ATOM 0 HB3 PRO A 45 162.683 -6.953 14.685 1.00 0.00 H new ATOM 0 HG2 PRO A 45 165.562 -6.923 14.805 1.00 0.00 H new ATOM 0 HG3 PRO A 45 164.510 -8.295 14.518 1.00 0.00 H new ATOM 0 HD2 PRO A 45 166.230 -7.238 12.612 1.00 0.00 H new ATOM 0 HD3 PRO A 45 164.817 -8.198 12.223 1.00 0.00 H new ATOM 760 N GLN A 46 163.968 -3.563 13.465 1.00 0.00 N ATOM 761 CA GLN A 46 163.816 -2.126 13.646 1.00 0.00 C ATOM 762 C GLN A 46 164.418 -1.337 12.483 1.00 0.00 C ATOM 763 O GLN A 46 165.014 -0.279 12.688 1.00 0.00 O ATOM 764 CB GLN A 46 164.468 -1.705 14.963 1.00 0.00 C ATOM 765 CG GLN A 46 163.780 -0.528 15.638 1.00 0.00 C ATOM 766 CD GLN A 46 163.050 -0.928 16.905 1.00 0.00 C ATOM 767 OE1 GLN A 46 163.219 -0.308 17.955 1.00 0.00 O ATOM 768 NE2 GLN A 46 162.232 -1.969 16.813 1.00 0.00 N ATOM 0 H GLN A 46 164.896 -3.920 13.690 1.00 0.00 H new ATOM 0 HA GLN A 46 162.750 -1.901 13.673 1.00 0.00 H new ATOM 0 HB2 GLN A 46 164.468 -2.555 15.646 1.00 0.00 H new ATOM 0 HB3 GLN A 46 165.510 -1.446 14.776 1.00 0.00 H new ATOM 0 HG2 GLN A 46 164.522 0.234 15.876 1.00 0.00 H new ATOM 0 HG3 GLN A 46 163.072 -0.078 14.942 1.00 0.00 H new ATOM 0 HE21 GLN A 46 162.122 -2.454 15.922 1.00 0.00 H new ATOM 0 HE22 GLN A 46 161.713 -2.284 17.633 1.00 0.00 H new ATOM 777 N GLY A 47 164.246 -1.841 11.261 1.00 0.00 N ATOM 778 CA GLY A 47 164.769 -1.142 10.098 1.00 0.00 C ATOM 779 C GLY A 47 165.690 -1.986 9.235 1.00 0.00 C ATOM 780 O GLY A 47 166.063 -3.096 9.611 1.00 0.00 O ATOM 0 H GLY A 47 163.758 -2.713 11.057 1.00 0.00 H new ATOM 0 HA2 GLY A 47 163.934 -0.795 9.489 1.00 0.00 H new ATOM 0 HA3 GLY A 47 165.310 -0.257 10.432 1.00 0.00 H new ATOM 784 N PHE A 48 166.058 -1.449 8.073 1.00 0.00 N ATOM 785 CA PHE A 48 166.945 -2.146 7.144 1.00 0.00 C ATOM 786 C PHE A 48 168.378 -2.145 7.660 1.00 0.00 C ATOM 787 O PHE A 48 168.754 -1.291 8.462 1.00 0.00 O ATOM 788 CB PHE A 48 166.916 -1.481 5.763 1.00 0.00 C ATOM 789 CG PHE A 48 165.697 -1.789 4.934 1.00 0.00 C ATOM 790 CD1 PHE A 48 164.972 -2.958 5.120 1.00 0.00 C ATOM 791 CD2 PHE A 48 165.284 -0.900 3.956 1.00 0.00 C ATOM 792 CE1 PHE A 48 163.859 -3.228 4.346 1.00 0.00 C ATOM 793 CE2 PHE A 48 164.173 -1.164 3.181 1.00 0.00 C ATOM 794 CZ PHE A 48 163.459 -2.330 3.375 1.00 0.00 C ATOM 0 H PHE A 48 165.754 -0.530 7.752 1.00 0.00 H new ATOM 0 HA PHE A 48 166.590 -3.173 7.061 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.984 -0.401 5.895 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.802 -1.791 5.208 1.00 0.00 H new ATOM 0 HD1 PHE A 48 165.281 -3.664 5.877 1.00 0.00 H new ATOM 0 HD2 PHE A 48 165.839 0.013 3.797 1.00 0.00 H new ATOM 0 HE1 PHE A 48 163.302 -4.141 4.500 1.00 0.00 H new ATOM 0 HE2 PHE A 48 163.862 -0.459 2.424 1.00 0.00 H new ATOM 0 HZ PHE A 48 162.590 -2.540 2.769 1.00 0.00 H new ATOM 804 N VAL A 49 169.167 -3.107 7.186 1.00 0.00 N ATOM 805 CA VAL A 49 170.565 -3.231 7.586 1.00 0.00 C ATOM 806 C VAL A 49 171.501 -2.897 6.431 1.00 0.00 C ATOM 807 O VAL A 49 172.090 -3.787 5.816 1.00 0.00 O ATOM 808 CB VAL A 49 170.886 -4.654 8.080 1.00 0.00 C ATOM 809 CG1 VAL A 49 172.242 -4.693 8.767 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.794 -5.145 9.012 1.00 0.00 C ATOM 0 H VAL A 49 168.858 -3.816 6.520 1.00 0.00 H new ATOM 0 HA VAL A 49 170.720 -2.522 8.400 1.00 0.00 H new ATOM 0 HB VAL A 49 170.928 -5.319 7.217 1.00 0.00 H new ATOM 0 HG11 VAL A 49 172.448 -5.708 9.108 1.00 0.00 H new ATOM 0 HG12 VAL A 49 173.015 -4.382 8.064 1.00 0.00 H new ATOM 0 HG13 VAL A 49 172.236 -4.017 9.622 1.00 0.00 H new ATOM 0 HG21 VAL A 49 170.033 -6.152 9.354 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.721 -4.478 9.871 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.842 -5.158 8.482 1.00 0.00 H new ATOM 820 N ALA A 50 171.639 -1.609 6.145 1.00 0.00 N ATOM 821 CA ALA A 50 172.513 -1.159 5.069 1.00 0.00 C ATOM 822 C ALA A 50 173.974 -1.374 5.445 1.00 0.00 C ATOM 823 O ALA A 50 174.661 -0.445 5.866 1.00 0.00 O ATOM 824 CB ALA A 50 172.252 0.308 4.753 1.00 0.00 C ATOM 0 H ALA A 50 171.158 -0.859 6.642 1.00 0.00 H new ATOM 0 HA ALA A 50 172.298 -1.748 4.177 1.00 0.00 H new ATOM 0 HB1 ALA A 50 172.912 0.630 3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.214 0.435 4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.442 0.911 5.641 1.00 0.00 H new ATOM 830 N ASP A 51 174.441 -2.612 5.305 1.00 0.00 N ATOM 831 CA ASP A 51 175.818 -2.948 5.645 1.00 0.00 C ATOM 832 C ASP A 51 176.719 -2.904 4.415 1.00 0.00 C ATOM 833 O ASP A 51 177.016 -3.935 3.812 1.00 0.00 O ATOM 834 CB ASP A 51 175.878 -4.334 6.292 1.00 0.00 C ATOM 835 CG ASP A 51 176.250 -4.268 7.760 1.00 0.00 C ATOM 836 OD1 ASP A 51 177.424 -3.964 8.062 1.00 0.00 O ATOM 837 OD2 ASP A 51 175.369 -4.518 8.608 1.00 0.00 O ATOM 0 H ASP A 51 173.887 -3.396 4.960 1.00 0.00 H new ATOM 0 HA ASP A 51 176.180 -2.205 6.355 1.00 0.00 H new ATOM 0 HB2 ASP A 51 174.910 -4.824 6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 51 176.606 -4.949 5.762 1.00 0.00 H new ATOM 842 N ALA A 52 177.155 -1.702 4.052 1.00 0.00 N ATOM 843 CA ALA A 52 178.027 -1.522 2.901 1.00 0.00 C ATOM 844 C ALA A 52 179.476 -1.344 3.343 1.00 0.00 C ATOM 845 O ALA A 52 179.846 -0.310 3.899 1.00 0.00 O ATOM 846 CB ALA A 52 177.567 -0.334 2.071 1.00 0.00 C ATOM 0 H ALA A 52 176.917 -0.838 4.540 1.00 0.00 H new ATOM 0 HA ALA A 52 177.971 -2.418 2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 52 178.229 -0.211 1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 52 176.549 -0.506 1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 52 177.593 0.569 2.682 1.00 0.00 H new ATOM 852 N THR A 53 180.288 -2.364 3.097 1.00 0.00 N ATOM 853 CA THR A 53 181.697 -2.337 3.470 1.00 0.00 C ATOM 854 C THR A 53 182.582 -2.201 2.236 1.00 0.00 C ATOM 855 O THR A 53 182.516 -3.016 1.318 1.00 0.00 O ATOM 856 CB THR A 53 182.060 -3.611 4.235 1.00 0.00 C ATOM 857 OG1 THR A 53 181.044 -3.942 5.167 1.00 0.00 O ATOM 858 CG2 THR A 53 183.363 -3.503 4.996 1.00 0.00 C ATOM 0 H THR A 53 179.993 -3.226 2.638 1.00 0.00 H new ATOM 0 HA THR A 53 181.866 -1.472 4.111 1.00 0.00 H new ATOM 0 HB THR A 53 182.167 -4.384 3.474 1.00 0.00 H new ATOM 0 HG1 THR A 53 181.360 -4.661 5.753 1.00 0.00 H new ATOM 0 HG21 THR A 53 183.560 -4.441 5.516 1.00 0.00 H new ATOM 0 HG22 THR A 53 184.175 -3.297 4.299 1.00 0.00 H new ATOM 0 HG23 THR A 53 183.294 -2.693 5.722 1.00 0.00 H new ATOM 866 N ILE A 54 183.404 -1.158 2.219 1.00 0.00 N ATOM 867 CA ILE A 54 184.297 -0.907 1.092 1.00 0.00 C ATOM 868 C ILE A 54 185.755 -1.121 1.488 1.00 0.00 C ATOM 869 O ILE A 54 186.165 -0.770 2.594 1.00 0.00 O ATOM 870 CB ILE A 54 184.118 0.526 0.548 1.00 0.00 C ATOM 871 CG1 ILE A 54 182.660 0.976 0.718 1.00 0.00 C ATOM 872 CG2 ILE A 54 184.549 0.594 -0.910 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.223 2.064 -0.239 1.00 0.00 C ATOM 0 H ILE A 54 183.471 -0.473 2.972 1.00 0.00 H new ATOM 0 HA ILE A 54 184.034 -1.618 0.309 1.00 0.00 H new ATOM 0 HB ILE A 54 184.752 1.206 1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 54 182.009 0.112 0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 54 182.519 1.330 1.739 1.00 0.00 H new ATOM 0 HG21 ILE A 54 184.418 1.610 -1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 54 185.598 0.310 -0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 54 183.940 -0.090 -1.502 1.00 0.00 H new ATOM 0 HD11 ILE A 54 181.181 2.320 -0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 54 182.846 2.947 -0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 54 182.327 1.710 -1.265 1.00 0.00 H new ATOM 885 N ASN A 55 186.532 -1.706 0.579 1.00 0.00 N ATOM 886 CA ASN A 55 187.943 -1.975 0.837 1.00 0.00 C ATOM 887 C ASN A 55 188.814 -0.784 0.445 1.00 0.00 C ATOM 888 O ASN A 55 189.173 -0.620 -0.723 1.00 0.00 O ATOM 889 CB ASN A 55 188.389 -3.230 0.079 1.00 0.00 C ATOM 890 CG ASN A 55 189.876 -3.508 0.218 1.00 0.00 C ATOM 891 OD1 ASN A 55 190.532 -3.921 -0.739 1.00 0.00 O ATOM 892 ND2 ASN A 55 190.413 -3.285 1.412 1.00 0.00 N ATOM 0 H ASN A 55 186.208 -2.002 -0.342 1.00 0.00 H new ATOM 0 HA ASN A 55 188.064 -2.143 1.907 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.828 -4.089 0.447 1.00 0.00 H new ATOM 0 HB3 ASN A 55 188.143 -3.117 -0.977 1.00 0.00 H new ATOM 0 HD21 ASN A 55 191.407 -3.456 1.564 1.00 0.00 H new ATOM 0 HD22 ASN A 55 189.831 -2.943 2.177 1.00 0.00 H new ATOM 899 N THR A 56 189.153 0.036 1.433 1.00 0.00 N ATOM 900 CA THR A 56 189.989 1.209 1.211 1.00 0.00 C ATOM 901 C THR A 56 191.459 0.868 1.451 1.00 0.00 C ATOM 902 O THR A 56 191.770 -0.111 2.131 1.00 0.00 O ATOM 903 CB THR A 56 189.556 2.354 2.136 1.00 0.00 C ATOM 904 OG1 THR A 56 190.144 2.216 3.418 1.00 0.00 O ATOM 905 CG2 THR A 56 188.055 2.441 2.326 1.00 0.00 C ATOM 0 H THR A 56 188.859 -0.092 2.401 1.00 0.00 H new ATOM 0 HA THR A 56 189.868 1.529 0.176 1.00 0.00 H new ATOM 0 HB THR A 56 189.896 3.264 1.642 1.00 0.00 H new ATOM 0 HG1 THR A 56 189.694 1.497 3.909 1.00 0.00 H new ATOM 0 HG21 THR A 56 187.820 3.272 2.991 1.00 0.00 H new ATOM 0 HG22 THR A 56 187.575 2.602 1.361 1.00 0.00 H new ATOM 0 HG23 THR A 56 187.689 1.512 2.763 1.00 0.00 H new ATOM 913 N PRO A 57 192.388 1.666 0.899 1.00 0.00 N ATOM 914 CA PRO A 57 193.828 1.433 1.061 1.00 0.00 C ATOM 915 C PRO A 57 194.253 1.440 2.528 1.00 0.00 C ATOM 916 O PRO A 57 195.274 0.854 2.889 1.00 0.00 O ATOM 917 CB PRO A 57 194.479 2.601 0.309 1.00 0.00 C ATOM 918 CG PRO A 57 193.402 3.623 0.173 1.00 0.00 C ATOM 919 CD PRO A 57 192.119 2.854 0.073 1.00 0.00 C ATOM 0 HA PRO A 57 194.123 0.455 0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 57 195.332 2.998 0.859 1.00 0.00 H new ATOM 0 HB3 PRO A 57 194.848 2.285 -0.667 1.00 0.00 H new ATOM 0 HG2 PRO A 57 193.389 4.294 1.032 1.00 0.00 H new ATOM 0 HG3 PRO A 57 193.558 4.240 -0.712 1.00 0.00 H new ATOM 0 HD2 PRO A 57 191.273 3.427 0.452 1.00 0.00 H new ATOM 0 HD3 PRO A 57 191.887 2.586 -0.958 1.00 0.00 H new ATOM 927 N ASN A 58 193.466 2.105 3.367 1.00 0.00 N ATOM 928 CA ASN A 58 193.763 2.185 4.792 1.00 0.00 C ATOM 929 C ASN A 58 192.805 1.313 5.599 1.00 0.00 C ATOM 930 O ASN A 58 192.492 1.616 6.749 1.00 0.00 O ATOM 931 CB ASN A 58 193.676 3.637 5.270 1.00 0.00 C ATOM 932 CG ASN A 58 195.029 4.319 5.300 1.00 0.00 C ATOM 933 OD1 ASN A 58 196.048 3.690 5.585 1.00 0.00 O ATOM 934 ND2 ASN A 58 195.045 5.615 5.007 1.00 0.00 N ATOM 0 H ASN A 58 192.618 2.596 3.085 1.00 0.00 H new ATOM 0 HA ASN A 58 194.777 1.817 4.948 1.00 0.00 H new ATOM 0 HB2 ASN A 58 193.007 4.193 4.613 1.00 0.00 H new ATOM 0 HB3 ASN A 58 193.238 3.662 6.268 1.00 0.00 H new ATOM 0 HD21 ASN A 58 195.926 6.128 5.013 1.00 0.00 H new ATOM 0 HD22 ASN A 58 194.176 6.097 4.776 1.00 0.00 H new ATOM 941 N GLY A 59 192.342 0.228 4.986 1.00 0.00 N ATOM 942 CA GLY A 59 191.424 -0.672 5.660 1.00 0.00 C ATOM 943 C GLY A 59 190.082 -0.756 4.961 1.00 0.00 C ATOM 944 O GLY A 59 189.908 -0.215 3.870 1.00 0.00 O ATOM 0 H GLY A 59 192.586 -0.044 4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 59 191.867 -1.667 5.712 1.00 0.00 H new ATOM 0 HA3 GLY A 59 191.276 -0.335 6.686 1.00 0.00 H new ATOM 948 N VAL A 60 189.129 -1.438 5.590 1.00 0.00 N ATOM 949 CA VAL A 60 187.795 -1.591 5.018 1.00 0.00 C ATOM 950 C VAL A 60 186.748 -0.876 5.868 1.00 0.00 C ATOM 951 O VAL A 60 186.485 -1.269 7.005 1.00 0.00 O ATOM 952 CB VAL A 60 187.403 -3.078 4.885 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.291 -3.250 3.862 1.00 0.00 C ATOM 954 CG2 VAL A 60 188.611 -3.926 4.511 1.00 0.00 C ATOM 0 H VAL A 60 189.255 -1.893 6.494 1.00 0.00 H new ATOM 0 HA VAL A 60 187.825 -1.142 4.025 1.00 0.00 H new ATOM 0 HB VAL A 60 187.035 -3.419 5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 60 186.029 -4.305 3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 60 185.416 -2.682 4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 60 186.630 -2.887 2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 60 188.310 -4.970 4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 60 189.015 -3.584 3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 60 189.374 -3.833 5.283 1.00 0.00 H new ATOM 964 N LEU A 61 186.155 0.178 5.311 1.00 0.00 N ATOM 965 CA LEU A 61 185.139 0.947 6.023 1.00 0.00 C ATOM 966 C LEU A 61 183.789 0.238 5.975 1.00 0.00 C ATOM 967 O LEU A 61 183.141 0.178 4.930 1.00 0.00 O ATOM 968 CB LEU A 61 185.020 2.349 5.422 1.00 0.00 C ATOM 969 CG LEU A 61 186.349 3.071 5.198 1.00 0.00 C ATOM 970 CD1 LEU A 61 186.127 4.388 4.470 1.00 0.00 C ATOM 971 CD2 LEU A 61 187.058 3.308 6.524 1.00 0.00 C ATOM 0 H LEU A 61 186.360 0.518 4.371 1.00 0.00 H new ATOM 0 HA LEU A 61 185.444 1.033 7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 61 184.498 2.276 4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 61 184.399 2.958 6.079 1.00 0.00 H new ATOM 0 HG LEU A 61 186.982 2.438 4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 61 187.085 4.887 4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 61 185.663 4.195 3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 61 185.474 5.027 5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 61 188.002 3.823 6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 61 186.428 3.920 7.169 1.00 0.00 H new ATOM 0 HD23 LEU A 61 187.253 2.351 7.009 1.00 0.00 H new ATOM 983 N VAL A 62 183.383 -0.319 7.113 1.00 0.00 N ATOM 984 CA VAL A 62 182.123 -1.051 7.203 1.00 0.00 C ATOM 985 C VAL A 62 180.987 -0.164 7.704 1.00 0.00 C ATOM 986 O VAL A 62 180.861 0.084 8.902 1.00 0.00 O ATOM 987 CB VAL A 62 182.257 -2.269 8.144 1.00 0.00 C ATOM 988 CG1 VAL A 62 182.647 -1.828 9.548 1.00 0.00 C ATOM 989 CG2 VAL A 62 180.968 -3.079 8.169 1.00 0.00 C ATOM 0 H VAL A 62 183.909 -0.277 7.986 1.00 0.00 H new ATOM 0 HA VAL A 62 181.887 -1.390 6.194 1.00 0.00 H new ATOM 0 HB VAL A 62 183.050 -2.909 7.758 1.00 0.00 H new ATOM 0 HG11 VAL A 62 182.735 -2.702 10.193 1.00 0.00 H new ATOM 0 HG12 VAL A 62 183.603 -1.305 9.513 1.00 0.00 H new ATOM 0 HG13 VAL A 62 181.882 -1.160 9.945 1.00 0.00 H new ATOM 0 HG21 VAL A 62 181.087 -3.931 8.838 1.00 0.00 H new ATOM 0 HG22 VAL A 62 180.150 -2.451 8.523 1.00 0.00 H new ATOM 0 HG23 VAL A 62 180.743 -3.436 7.164 1.00 0.00 H new ATOM 999 N ALA A 63 180.166 0.319 6.779 1.00 0.00 N ATOM 1000 CA ALA A 63 179.049 1.185 7.134 1.00 0.00 C ATOM 1001 C ALA A 63 177.754 0.393 7.277 1.00 0.00 C ATOM 1002 O ALA A 63 177.227 -0.132 6.297 1.00 0.00 O ATOM 1003 CB ALA A 63 178.882 2.269 6.084 1.00 0.00 C ATOM 0 H ALA A 63 180.252 0.126 5.781 1.00 0.00 H new ATOM 0 HA ALA A 63 179.270 1.643 8.098 1.00 0.00 H new ATOM 0 HB1 ALA A 63 178.045 2.913 6.356 1.00 0.00 H new ATOM 0 HB2 ALA A 63 179.794 2.864 6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 63 178.687 1.810 5.115 1.00 0.00 H new ATOM 1009 N SER A 64 177.242 0.314 8.501 1.00 0.00 N ATOM 1010 CA SER A 64 176.006 -0.412 8.760 1.00 0.00 C ATOM 1011 C SER A 64 174.866 0.550 9.078 1.00 0.00 C ATOM 1012 O SER A 64 174.813 1.130 10.162 1.00 0.00 O ATOM 1013 CB SER A 64 176.192 -1.395 9.914 1.00 0.00 C ATOM 1014 OG SER A 64 177.542 -1.813 10.018 1.00 0.00 O ATOM 0 H SER A 64 177.663 0.742 9.326 1.00 0.00 H new ATOM 0 HA SER A 64 175.750 -0.969 7.858 1.00 0.00 H new ATOM 0 HB2 SER A 64 175.880 -0.927 10.848 1.00 0.00 H new ATOM 0 HB3 SER A 64 175.550 -2.263 9.763 1.00 0.00 H new ATOM 0 HG SER A 64 177.700 -2.563 9.408 1.00 0.00 H new ATOM 1020 N GLY A 65 173.956 0.713 8.123 1.00 0.00 N ATOM 1021 CA GLY A 65 172.827 1.604 8.319 1.00 0.00 C ATOM 1022 C GLY A 65 171.603 0.873 8.839 1.00 0.00 C ATOM 1023 O GLY A 65 171.181 -0.131 8.266 1.00 0.00 O ATOM 0 H GLY A 65 173.980 0.244 7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.104 2.390 9.022 1.00 0.00 H new ATOM 0 HA3 GLY A 65 172.583 2.092 7.375 1.00 0.00 H new ATOM 1027 N LYS A 66 171.038 1.374 9.932 1.00 0.00 N ATOM 1028 CA LYS A 66 169.859 0.759 10.531 1.00 0.00 C ATOM 1029 C LYS A 66 168.696 1.748 10.584 1.00 0.00 C ATOM 1030 O LYS A 66 168.760 2.755 11.290 1.00 0.00 O ATOM 1031 CB LYS A 66 170.198 0.243 11.939 1.00 0.00 C ATOM 1032 CG LYS A 66 169.134 0.533 12.990 1.00 0.00 C ATOM 1033 CD LYS A 66 169.445 -0.159 14.307 1.00 0.00 C ATOM 1034 CE LYS A 66 168.282 -0.045 15.279 1.00 0.00 C ATOM 1035 NZ LYS A 66 167.896 1.374 15.526 1.00 0.00 N ATOM 0 H LYS A 66 171.377 2.203 10.421 1.00 0.00 H new ATOM 0 HA LYS A 66 169.552 -0.083 9.911 1.00 0.00 H new ATOM 0 HB2 LYS A 66 170.358 -0.834 11.889 1.00 0.00 H new ATOM 0 HB3 LYS A 66 171.139 0.690 12.260 1.00 0.00 H new ATOM 0 HG2 LYS A 66 169.065 1.609 13.151 1.00 0.00 H new ATOM 0 HG3 LYS A 66 168.162 0.202 12.625 1.00 0.00 H new ATOM 0 HD2 LYS A 66 169.667 -1.210 14.124 1.00 0.00 H new ATOM 0 HD3 LYS A 66 170.337 0.283 14.751 1.00 0.00 H new ATOM 0 HE2 LYS A 66 167.425 -0.590 14.884 1.00 0.00 H new ATOM 0 HE3 LYS A 66 168.552 -0.517 16.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 167.233 1.419 16.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 168.746 1.931 15.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 167.440 1.763 14.676 1.00 0.00 H new ATOM 1049 N HIS A 67 167.630 1.457 9.841 1.00 0.00 N ATOM 1050 CA HIS A 67 166.462 2.335 9.830 1.00 0.00 C ATOM 1051 C HIS A 67 165.318 1.748 9.004 1.00 0.00 C ATOM 1052 O HIS A 67 165.542 1.089 7.988 1.00 0.00 O ATOM 1053 CB HIS A 67 166.839 3.716 9.290 1.00 0.00 C ATOM 1054 CG HIS A 67 166.415 4.838 10.187 1.00 0.00 C ATOM 1055 ND1 HIS A 67 166.974 5.063 11.426 1.00 0.00 N ATOM 1056 CD2 HIS A 67 165.477 5.801 10.020 1.00 0.00 C ATOM 1057 CE1 HIS A 67 166.400 6.114 11.984 1.00 0.00 C ATOM 1058 NE2 HIS A 67 165.490 6.580 11.150 1.00 0.00 N ATOM 0 H HIS A 67 167.550 0.632 9.247 1.00 0.00 H new ATOM 0 HA HIS A 67 166.117 2.431 10.859 1.00 0.00 H new ATOM 0 HB2 HIS A 67 167.919 3.761 9.149 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.383 3.852 8.309 1.00 0.00 H new ATOM 0 HD1 HIS A 67 167.716 4.504 11.847 1.00 0.00 H new ATOM 0 HD2 HIS A 67 164.838 5.931 9.159 1.00 0.00 H new ATOM 0 HE1 HIS A 67 166.635 6.522 12.956 1.00 0.00 H new ATOM 1067 N GLU A 68 164.091 2.005 9.451 1.00 0.00 N ATOM 1068 CA GLU A 68 162.901 1.518 8.763 1.00 0.00 C ATOM 1069 C GLU A 68 162.813 2.098 7.358 1.00 0.00 C ATOM 1070 O GLU A 68 162.500 1.388 6.403 1.00 0.00 O ATOM 1071 CB GLU A 68 161.645 1.871 9.561 1.00 0.00 C ATOM 1072 CG GLU A 68 160.380 1.214 9.030 1.00 0.00 C ATOM 1073 CD GLU A 68 160.172 -0.181 9.584 1.00 0.00 C ATOM 1074 OE1 GLU A 68 160.563 -0.423 10.746 1.00 0.00 O ATOM 1075 OE2 GLU A 68 159.619 -1.032 8.857 1.00 0.00 O ATOM 0 H GLU A 68 163.896 2.550 10.291 1.00 0.00 H new ATOM 0 HA GLU A 68 162.973 0.433 8.682 1.00 0.00 H new ATOM 0 HB2 GLU A 68 161.790 1.574 10.600 1.00 0.00 H new ATOM 0 HB3 GLU A 68 161.513 2.953 9.554 1.00 0.00 H new ATOM 0 HG2 GLU A 68 159.520 1.833 9.283 1.00 0.00 H new ATOM 0 HG3 GLU A 68 160.429 1.165 7.942 1.00 0.00 H new ATOM 1082 N ASP A 69 163.105 3.387 7.234 1.00 0.00 N ATOM 1083 CA ASP A 69 163.071 4.051 5.937 1.00 0.00 C ATOM 1084 C ASP A 69 164.244 3.585 5.086 1.00 0.00 C ATOM 1085 O ASP A 69 165.393 3.617 5.528 1.00 0.00 O ATOM 1086 CB ASP A 69 163.113 5.570 6.109 1.00 0.00 C ATOM 1087 CG ASP A 69 161.729 6.187 6.143 1.00 0.00 C ATOM 1088 OD1 ASP A 69 160.801 5.602 5.545 1.00 0.00 O ATOM 1089 OD2 ASP A 69 161.572 7.257 6.768 1.00 0.00 O ATOM 0 H ASP A 69 163.367 3.991 8.013 1.00 0.00 H new ATOM 0 HA ASP A 69 162.140 3.789 5.435 1.00 0.00 H new ATOM 0 HB2 ASP A 69 163.639 5.814 7.032 1.00 0.00 H new ATOM 0 HB3 ASP A 69 163.684 6.010 5.291 1.00 0.00 H new ATOM 1094 N MET A 70 163.951 3.135 3.872 1.00 0.00 N ATOM 1095 CA MET A 70 164.991 2.645 2.979 1.00 0.00 C ATOM 1096 C MET A 70 166.027 3.724 2.676 1.00 0.00 C ATOM 1097 O MET A 70 167.229 3.483 2.774 1.00 0.00 O ATOM 1098 CB MET A 70 164.369 2.093 1.687 1.00 0.00 C ATOM 1099 CG MET A 70 164.077 3.132 0.609 1.00 0.00 C ATOM 1100 SD MET A 70 162.560 4.052 0.922 1.00 0.00 S ATOM 1101 CE MET A 70 161.379 3.071 -0.001 1.00 0.00 C ATOM 0 H MET A 70 163.008 3.100 3.486 1.00 0.00 H new ATOM 0 HA MET A 70 165.514 1.833 3.484 1.00 0.00 H new ATOM 0 HB2 MET A 70 165.041 1.342 1.272 1.00 0.00 H new ATOM 0 HB3 MET A 70 163.439 1.584 1.940 1.00 0.00 H new ATOM 0 HG2 MET A 70 164.913 3.829 0.546 1.00 0.00 H new ATOM 0 HG3 MET A 70 164.003 2.635 -0.358 1.00 0.00 H new ATOM 0 HE1 MET A 70 160.387 3.512 0.093 1.00 0.00 H new ATOM 0 HE2 MET A 70 161.667 3.048 -1.052 1.00 0.00 H new ATOM 0 HE3 MET A 70 161.363 2.055 0.393 1.00 0.00 H new ATOM 1111 N TYR A 71 165.561 4.912 2.308 1.00 0.00 N ATOM 1112 CA TYR A 71 166.465 6.009 1.991 1.00 0.00 C ATOM 1113 C TYR A 71 167.291 6.397 3.211 1.00 0.00 C ATOM 1114 O TYR A 71 168.460 6.765 3.087 1.00 0.00 O ATOM 1115 CB TYR A 71 165.689 7.219 1.459 1.00 0.00 C ATOM 1116 CG TYR A 71 165.382 7.155 -0.026 1.00 0.00 C ATOM 1117 CD1 TYR A 71 166.171 6.406 -0.897 1.00 0.00 C ATOM 1118 CD2 TYR A 71 164.302 7.847 -0.559 1.00 0.00 C ATOM 1119 CE1 TYR A 71 165.893 6.352 -2.246 1.00 0.00 C ATOM 1120 CE2 TYR A 71 164.017 7.796 -1.911 1.00 0.00 C ATOM 1121 CZ TYR A 71 164.815 7.048 -2.751 1.00 0.00 C ATOM 1122 OH TYR A 71 164.534 6.997 -4.096 1.00 0.00 O ATOM 0 H TYR A 71 164.570 5.138 2.222 1.00 0.00 H new ATOM 0 HA TYR A 71 167.146 5.671 1.210 1.00 0.00 H new ATOM 0 HB2 TYR A 71 164.752 7.307 2.009 1.00 0.00 H new ATOM 0 HB3 TYR A 71 166.263 8.123 1.662 1.00 0.00 H new ATOM 0 HD1 TYR A 71 167.016 5.858 -0.508 1.00 0.00 H new ATOM 0 HD2 TYR A 71 163.674 8.435 0.094 1.00 0.00 H new ATOM 0 HE1 TYR A 71 166.517 5.767 -2.905 1.00 0.00 H new ATOM 0 HE2 TYR A 71 163.173 8.340 -2.308 1.00 0.00 H new ATOM 0 HH TYR A 71 163.742 7.542 -4.286 1.00 0.00 H new ATOM 1132 N THR A 72 166.691 6.295 4.391 1.00 0.00 N ATOM 1133 CA THR A 72 167.403 6.622 5.620 1.00 0.00 C ATOM 1134 C THR A 72 168.520 5.615 5.851 1.00 0.00 C ATOM 1135 O THR A 72 169.576 5.950 6.387 1.00 0.00 O ATOM 1136 CB THR A 72 166.457 6.642 6.820 1.00 0.00 C ATOM 1137 OG1 THR A 72 165.228 7.263 6.480 1.00 0.00 O ATOM 1138 CG2 THR A 72 167.029 7.374 8.017 1.00 0.00 C ATOM 0 H THR A 72 165.726 5.993 4.523 1.00 0.00 H new ATOM 0 HA THR A 72 167.830 7.619 5.513 1.00 0.00 H new ATOM 0 HB THR A 72 166.307 5.597 7.091 1.00 0.00 H new ATOM 0 HG1 THR A 72 164.848 7.693 7.274 1.00 0.00 H new ATOM 0 HG21 THR A 72 166.309 7.352 8.835 1.00 0.00 H new ATOM 0 HG22 THR A 72 167.952 6.888 8.333 1.00 0.00 H new ATOM 0 HG23 THR A 72 167.238 8.409 7.745 1.00 0.00 H new ATOM 1146 N ALA A 73 168.281 4.376 5.424 1.00 0.00 N ATOM 1147 CA ALA A 73 169.271 3.319 5.563 1.00 0.00 C ATOM 1148 C ALA A 73 170.518 3.663 4.763 1.00 0.00 C ATOM 1149 O ALA A 73 171.638 3.572 5.269 1.00 0.00 O ATOM 1150 CB ALA A 73 168.692 1.987 5.107 1.00 0.00 C ATOM 0 H ALA A 73 167.410 4.084 4.980 1.00 0.00 H new ATOM 0 HA ALA A 73 169.546 3.230 6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.445 1.206 5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 73 167.822 1.741 5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.394 2.059 4.061 1.00 0.00 H new ATOM 1156 N ILE A 74 170.317 4.083 3.516 1.00 0.00 N ATOM 1157 CA ILE A 74 171.438 4.470 2.661 1.00 0.00 C ATOM 1158 C ILE A 74 172.068 5.761 3.179 1.00 0.00 C ATOM 1159 O ILE A 74 173.211 6.080 2.856 1.00 0.00 O ATOM 1160 CB ILE A 74 171.055 4.667 1.165 1.00 0.00 C ATOM 1161 CG1 ILE A 74 169.567 4.385 0.894 1.00 0.00 C ATOM 1162 CG2 ILE A 74 171.933 3.789 0.284 1.00 0.00 C ATOM 1163 CD1 ILE A 74 169.243 2.923 0.664 1.00 0.00 C ATOM 0 H ILE A 74 169.399 4.164 3.078 1.00 0.00 H new ATOM 0 HA ILE A 74 172.143 3.640 2.704 1.00 0.00 H new ATOM 0 HB ILE A 74 171.226 5.716 0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 74 168.981 4.747 1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 74 169.254 4.957 0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 74 171.659 3.933 -0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 74 172.979 4.062 0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 74 171.791 2.743 0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 74 168.174 2.812 0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 74 169.799 2.559 -0.200 1.00 0.00 H new ATOM 0 HD13 ILE A 74 169.522 2.345 1.545 1.00 0.00 H new ATOM 1175 N ASN A 75 171.317 6.499 3.992 1.00 0.00 N ATOM 1176 CA ASN A 75 171.809 7.747 4.558 1.00 0.00 C ATOM 1177 C ASN A 75 172.774 7.468 5.705 1.00 0.00 C ATOM 1178 O ASN A 75 173.741 8.201 5.910 1.00 0.00 O ATOM 1179 CB ASN A 75 170.642 8.604 5.050 1.00 0.00 C ATOM 1180 CG ASN A 75 170.172 9.593 4.003 1.00 0.00 C ATOM 1181 OD1 ASN A 75 170.297 10.806 4.175 1.00 0.00 O ATOM 1182 ND2 ASN A 75 169.626 9.080 2.905 1.00 0.00 N ATOM 0 H ASN A 75 170.367 6.253 4.272 1.00 0.00 H new ATOM 0 HA ASN A 75 172.341 8.292 3.779 1.00 0.00 H new ATOM 0 HB2 ASN A 75 169.812 7.956 5.333 1.00 0.00 H new ATOM 0 HB3 ASN A 75 170.944 9.144 5.947 1.00 0.00 H new ATOM 0 HD21 ASN A 75 169.292 9.698 2.165 1.00 0.00 H new ATOM 0 HD22 ASN A 75 169.541 8.069 2.802 1.00 0.00 H new ATOM 1189 N GLU A 76 172.501 6.403 6.457 1.00 0.00 N ATOM 1190 CA GLU A 76 173.345 6.027 7.586 1.00 0.00 C ATOM 1191 C GLU A 76 174.628 5.344 7.115 1.00 0.00 C ATOM 1192 O GLU A 76 175.675 5.460 7.755 1.00 0.00 O ATOM 1193 CB GLU A 76 172.582 5.096 8.531 1.00 0.00 C ATOM 1194 CG GLU A 76 173.265 4.905 9.874 1.00 0.00 C ATOM 1195 CD GLU A 76 172.874 5.966 10.884 1.00 0.00 C ATOM 1196 OE1 GLU A 76 172.428 7.053 10.460 1.00 0.00 O ATOM 1197 OE2 GLU A 76 173.017 5.711 12.099 1.00 0.00 O ATOM 0 H GLU A 76 171.703 5.787 6.304 1.00 0.00 H new ATOM 0 HA GLU A 76 173.616 6.939 8.117 1.00 0.00 H new ATOM 0 HB2 GLU A 76 171.582 5.497 8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 76 172.461 4.124 8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 76 173.012 3.921 10.270 1.00 0.00 H new ATOM 0 HG3 GLU A 76 174.346 4.923 9.734 1.00 0.00 H new ATOM 1204 N LEU A 77 174.544 4.629 6.000 1.00 0.00 N ATOM 1205 CA LEU A 77 175.703 3.926 5.460 1.00 0.00 C ATOM 1206 C LEU A 77 176.662 4.901 4.775 1.00 0.00 C ATOM 1207 O LEU A 77 177.878 4.718 4.824 1.00 0.00 O ATOM 1208 CB LEU A 77 175.242 2.790 4.516 1.00 0.00 C ATOM 1209 CG LEU A 77 175.781 2.792 3.074 1.00 0.00 C ATOM 1210 CD1 LEU A 77 175.298 4.016 2.315 1.00 0.00 C ATOM 1211 CD2 LEU A 77 177.301 2.706 3.050 1.00 0.00 C ATOM 0 H LEU A 77 173.690 4.520 5.453 1.00 0.00 H new ATOM 0 HA LEU A 77 176.257 3.467 6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 77 175.517 1.841 4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 77 174.153 2.816 4.467 1.00 0.00 H new ATOM 0 HG LEU A 77 175.390 1.906 2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 77 175.693 3.993 1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 77 174.209 4.017 2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 77 175.646 4.918 2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 77 177.649 2.710 2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 77 177.722 3.562 3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 77 177.621 1.785 3.538 1.00 0.00 H new ATOM 1223 N ILE A 78 176.116 5.937 4.141 1.00 0.00 N ATOM 1224 CA ILE A 78 176.945 6.925 3.452 1.00 0.00 C ATOM 1225 C ILE A 78 177.688 7.823 4.441 1.00 0.00 C ATOM 1226 O ILE A 78 178.909 7.960 4.362 1.00 0.00 O ATOM 1227 CB ILE A 78 176.121 7.802 2.479 1.00 0.00 C ATOM 1228 CG1 ILE A 78 177.010 8.877 1.841 1.00 0.00 C ATOM 1229 CG2 ILE A 78 174.941 8.445 3.192 1.00 0.00 C ATOM 1230 CD1 ILE A 78 178.261 8.326 1.194 1.00 0.00 C ATOM 0 H ILE A 78 175.113 6.114 4.090 1.00 0.00 H new ATOM 0 HA ILE A 78 177.672 6.358 2.872 1.00 0.00 H new ATOM 0 HB ILE A 78 175.732 7.158 1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 78 176.431 9.416 1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 78 177.295 9.600 2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 78 174.378 9.056 2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 78 174.293 7.668 3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 78 175.305 9.073 4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 78 178.839 9.144 0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 78 178.862 7.811 1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 78 177.985 7.625 0.407 1.00 0.00 H new ATOM 1242 N ASN A 79 176.957 8.438 5.367 1.00 0.00 N ATOM 1243 CA ASN A 79 177.580 9.322 6.349 1.00 0.00 C ATOM 1244 C ASN A 79 178.582 8.558 7.208 1.00 0.00 C ATOM 1245 O ASN A 79 179.637 9.085 7.557 1.00 0.00 O ATOM 1246 CB ASN A 79 176.523 9.989 7.236 1.00 0.00 C ATOM 1247 CG ASN A 79 175.621 8.986 7.922 1.00 0.00 C ATOM 1248 OD1 ASN A 79 175.562 7.825 7.530 1.00 0.00 O ATOM 1249 ND2 ASN A 79 174.913 9.432 8.953 1.00 0.00 N ATOM 0 H ASN A 79 175.946 8.343 5.458 1.00 0.00 H new ATOM 0 HA ASN A 79 178.113 10.101 5.804 1.00 0.00 H new ATOM 0 HB2 ASN A 79 177.020 10.600 7.990 1.00 0.00 H new ATOM 0 HB3 ASN A 79 175.917 10.662 6.629 1.00 0.00 H new ATOM 0 HD21 ASN A 79 174.288 8.800 9.454 1.00 0.00 H new ATOM 0 HD22 ASN A 79 174.994 10.406 9.244 1.00 0.00 H new ATOM 1256 N LYS A 80 178.254 7.311 7.544 1.00 0.00 N ATOM 1257 CA LYS A 80 179.145 6.488 8.356 1.00 0.00 C ATOM 1258 C LYS A 80 180.505 6.337 7.678 1.00 0.00 C ATOM 1259 O LYS A 80 181.532 6.716 8.241 1.00 0.00 O ATOM 1260 CB LYS A 80 178.529 5.109 8.608 1.00 0.00 C ATOM 1261 CG LYS A 80 179.467 4.149 9.322 1.00 0.00 C ATOM 1262 CD LYS A 80 178.753 3.374 10.417 1.00 0.00 C ATOM 1263 CE LYS A 80 179.655 3.161 11.624 1.00 0.00 C ATOM 1264 NZ LYS A 80 180.349 1.844 11.574 1.00 0.00 N ATOM 0 H LYS A 80 177.385 6.853 7.269 1.00 0.00 H new ATOM 0 HA LYS A 80 179.285 6.988 9.315 1.00 0.00 H new ATOM 0 HB2 LYS A 80 177.622 5.227 9.201 1.00 0.00 H new ATOM 0 HB3 LYS A 80 178.232 4.673 7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 80 179.892 3.451 8.600 1.00 0.00 H new ATOM 0 HG3 LYS A 80 180.298 4.706 9.754 1.00 0.00 H new ATOM 0 HD2 LYS A 80 177.856 3.914 10.722 1.00 0.00 H new ATOM 0 HD3 LYS A 80 178.428 2.409 10.029 1.00 0.00 H new ATOM 0 HE2 LYS A 80 180.395 3.960 11.669 1.00 0.00 H new ATOM 0 HE3 LYS A 80 179.062 3.224 12.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 181.329 1.955 11.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 179.853 1.167 12.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 180.350 1.489 10.596 1.00 0.00 H new ATOM 1278 N LEU A 81 180.504 5.785 6.466 1.00 0.00 N ATOM 1279 CA LEU A 81 181.740 5.589 5.709 1.00 0.00 C ATOM 1280 C LEU A 81 182.589 6.858 5.726 1.00 0.00 C ATOM 1281 O LEU A 81 183.804 6.803 5.907 1.00 0.00 O ATOM 1282 CB LEU A 81 181.424 5.213 4.259 1.00 0.00 C ATOM 1283 CG LEU A 81 180.950 3.776 4.037 1.00 0.00 C ATOM 1284 CD1 LEU A 81 180.858 3.472 2.551 1.00 0.00 C ATOM 1285 CD2 LEU A 81 181.881 2.790 4.730 1.00 0.00 C ATOM 0 H LEU A 81 179.662 5.466 5.987 1.00 0.00 H new ATOM 0 HA LEU A 81 182.298 4.779 6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 81 180.657 5.891 3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 81 182.317 5.379 3.657 1.00 0.00 H new ATOM 0 HG LEU A 81 179.957 3.670 4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 81 180.519 2.446 2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 81 180.150 4.155 2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 81 181.839 3.597 2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 81 181.526 1.773 4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 81 182.888 2.895 4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 81 181.896 2.995 5.801 1.00 0.00 H new ATOM 1297 N GLU A 82 181.932 8.000 5.531 1.00 0.00 N ATOM 1298 CA GLU A 82 182.616 9.290 5.517 1.00 0.00 C ATOM 1299 C GLU A 82 183.446 9.484 6.781 1.00 0.00 C ATOM 1300 O GLU A 82 184.673 9.384 6.748 1.00 0.00 O ATOM 1301 CB GLU A 82 181.602 10.428 5.375 1.00 0.00 C ATOM 1302 CG GLU A 82 181.428 10.913 3.945 1.00 0.00 C ATOM 1303 CD GLU A 82 179.976 11.154 3.582 1.00 0.00 C ATOM 1304 OE1 GLU A 82 179.197 11.542 4.479 1.00 0.00 O ATOM 1305 OE2 GLU A 82 179.618 10.957 2.403 1.00 0.00 O ATOM 0 H GLU A 82 180.925 8.057 5.380 1.00 0.00 H new ATOM 0 HA GLU A 82 183.290 9.305 4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 82 180.637 10.093 5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 82 181.918 11.265 5.998 1.00 0.00 H new ATOM 0 HG2 GLU A 82 181.991 11.836 3.808 1.00 0.00 H new ATOM 0 HG3 GLU A 82 181.852 10.177 3.262 1.00 0.00 H new ATOM 1312 N ARG A 83 182.773 9.758 7.898 1.00 0.00 N ATOM 1313 CA ARG A 83 183.457 9.958 9.173 1.00 0.00 C ATOM 1314 C ARG A 83 184.458 8.837 9.427 1.00 0.00 C ATOM 1315 O ARG A 83 185.551 9.066 9.946 1.00 0.00 O ATOM 1316 CB ARG A 83 182.444 10.024 10.317 1.00 0.00 C ATOM 1317 CG ARG A 83 182.795 11.049 11.383 1.00 0.00 C ATOM 1318 CD ARG A 83 181.990 12.326 11.215 1.00 0.00 C ATOM 1319 NE ARG A 83 181.967 13.123 12.440 1.00 0.00 N ATOM 1320 CZ ARG A 83 181.073 14.076 12.687 1.00 0.00 C ATOM 1321 NH1 ARG A 83 180.130 14.357 11.795 1.00 0.00 N ATOM 1322 NH2 ARG A 83 181.121 14.752 13.827 1.00 0.00 N ATOM 0 H ARG A 83 181.758 9.846 7.945 1.00 0.00 H new ATOM 0 HA ARG A 83 183.997 10.903 9.125 1.00 0.00 H new ATOM 0 HB2 ARG A 83 181.462 10.260 9.908 1.00 0.00 H new ATOM 0 HB3 ARG A 83 182.368 9.041 10.781 1.00 0.00 H new ATOM 0 HG2 ARG A 83 182.608 10.627 12.370 1.00 0.00 H new ATOM 0 HG3 ARG A 83 183.859 11.279 11.331 1.00 0.00 H new ATOM 0 HD2 ARG A 83 182.415 12.919 10.405 1.00 0.00 H new ATOM 0 HD3 ARG A 83 180.969 12.076 10.926 1.00 0.00 H new ATOM 0 HE ARG A 83 182.678 12.937 13.147 1.00 0.00 H new ATOM 0 HH11 ARG A 83 180.089 13.841 10.916 1.00 0.00 H new ATOM 0 HH12 ARG A 83 179.446 15.089 11.989 1.00 0.00 H new ATOM 0 HH21 ARG A 83 181.844 14.541 14.515 1.00 0.00 H new ATOM 0 HH22 ARG A 83 180.435 15.483 14.016 1.00 0.00 H new ATOM 1336 N GLN A 84 184.075 7.624 9.044 1.00 0.00 N ATOM 1337 CA GLN A 84 184.929 6.457 9.214 1.00 0.00 C ATOM 1338 C GLN A 84 186.156 6.549 8.313 1.00 0.00 C ATOM 1339 O GLN A 84 187.214 6.008 8.631 1.00 0.00 O ATOM 1340 CB GLN A 84 184.144 5.186 8.888 1.00 0.00 C ATOM 1341 CG GLN A 84 184.578 3.972 9.695 1.00 0.00 C ATOM 1342 CD GLN A 84 184.203 2.663 9.024 1.00 0.00 C ATOM 1343 OE1 GLN A 84 184.932 1.676 9.117 1.00 0.00 O ATOM 1344 NE2 GLN A 84 183.058 2.647 8.345 1.00 0.00 N ATOM 0 H GLN A 84 183.173 7.424 8.611 1.00 0.00 H new ATOM 0 HA GLN A 84 185.262 6.423 10.251 1.00 0.00 H new ATOM 0 HB2 GLN A 84 183.084 5.369 9.066 1.00 0.00 H new ATOM 0 HB3 GLN A 84 184.255 4.964 7.827 1.00 0.00 H new ATOM 0 HG2 GLN A 84 185.658 4.005 9.842 1.00 0.00 H new ATOM 0 HG3 GLN A 84 184.120 4.014 10.683 1.00 0.00 H new ATOM 0 HE21 GLN A 84 182.484 3.488 8.294 1.00 0.00 H new ATOM 0 HE22 GLN A 84 182.755 1.793 7.876 1.00 0.00 H new ATOM 1353 N LEU A 85 186.001 7.231 7.181 1.00 0.00 N ATOM 1354 CA LEU A 85 187.091 7.388 6.227 1.00 0.00 C ATOM 1355 C LEU A 85 188.135 8.379 6.733 1.00 0.00 C ATOM 1356 O LEU A 85 189.285 8.012 6.965 1.00 0.00 O ATOM 1357 CB LEU A 85 186.546 7.848 4.873 1.00 0.00 C ATOM 1358 CG LEU A 85 187.445 7.529 3.676 1.00 0.00 C ATOM 1359 CD1 LEU A 85 186.607 7.139 2.467 1.00 0.00 C ATOM 1360 CD2 LEU A 85 188.342 8.716 3.351 1.00 0.00 C ATOM 0 H LEU A 85 185.130 7.683 6.904 1.00 0.00 H new ATOM 0 HA LEU A 85 187.575 6.418 6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.573 7.384 4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 85 186.383 8.925 4.910 1.00 0.00 H new ATOM 0 HG LEU A 85 188.080 6.683 3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 85 187.263 6.916 1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 85 186.011 6.258 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 85 185.945 7.963 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 85 188.974 8.471 2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 85 187.726 9.582 3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 85 188.969 8.945 4.213 1.00 0.00 H new ATOM 1372 N ASN A 86 187.732 9.638 6.898 1.00 0.00 N ATOM 1373 CA ASN A 86 188.649 10.678 7.374 1.00 0.00 C ATOM 1374 C ASN A 86 189.429 10.209 8.600 1.00 0.00 C ATOM 1375 O ASN A 86 190.636 10.421 8.698 1.00 0.00 O ATOM 1376 CB ASN A 86 187.901 11.975 7.705 1.00 0.00 C ATOM 1377 CG ASN A 86 186.466 11.741 8.131 1.00 0.00 C ATOM 1378 OD1 ASN A 86 186.178 11.540 9.310 1.00 0.00 O ATOM 1379 ND2 ASN A 86 185.559 11.767 7.164 1.00 0.00 N ATOM 0 H ASN A 86 186.784 9.963 6.711 1.00 0.00 H new ATOM 0 HA ASN A 86 189.351 10.877 6.565 1.00 0.00 H new ATOM 0 HB2 ASN A 86 188.429 12.499 8.501 1.00 0.00 H new ATOM 0 HB3 ASN A 86 187.913 12.627 6.832 1.00 0.00 H new ATOM 0 HD21 ASN A 86 184.574 11.616 7.384 1.00 0.00 H new ATOM 0 HD22 ASN A 86 185.846 11.938 6.200 1.00 0.00 H new ATOM 1386 N LYS A 87 188.728 9.569 9.530 1.00 0.00 N ATOM 1387 CA LYS A 87 189.356 9.069 10.748 1.00 0.00 C ATOM 1388 C LYS A 87 190.445 8.052 10.422 1.00 0.00 C ATOM 1389 O LYS A 87 191.631 8.305 10.635 1.00 0.00 O ATOM 1390 CB LYS A 87 188.305 8.434 11.662 1.00 0.00 C ATOM 1391 CG LYS A 87 188.829 8.077 13.043 1.00 0.00 C ATOM 1392 CD LYS A 87 189.388 6.661 13.089 1.00 0.00 C ATOM 1393 CE LYS A 87 188.345 5.629 12.685 1.00 0.00 C ATOM 1394 NZ LYS A 87 187.000 5.945 13.243 1.00 0.00 N ATOM 0 H LYS A 87 187.727 9.385 9.464 1.00 0.00 H new ATOM 0 HA LYS A 87 189.816 9.912 11.263 1.00 0.00 H new ATOM 0 HB2 LYS A 87 187.466 9.122 11.768 1.00 0.00 H new ATOM 0 HB3 LYS A 87 187.920 7.533 11.186 1.00 0.00 H new ATOM 0 HG2 LYS A 87 189.607 8.784 13.330 1.00 0.00 H new ATOM 0 HG3 LYS A 87 188.025 8.174 13.773 1.00 0.00 H new ATOM 0 HD2 LYS A 87 190.248 6.588 12.424 1.00 0.00 H new ATOM 0 HD3 LYS A 87 189.744 6.443 14.096 1.00 0.00 H new ATOM 0 HE2 LYS A 87 188.284 5.582 11.598 1.00 0.00 H new ATOM 0 HE3 LYS A 87 188.658 4.643 13.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 186.419 5.082 13.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 187.103 6.311 14.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 186.537 6.662 12.649 1.00 0.00 H new ATOM 1408 N LEU A 88 190.034 6.901 9.901 1.00 0.00 N ATOM 1409 CA LEU A 88 190.970 5.841 9.544 1.00 0.00 C ATOM 1410 C LEU A 88 192.005 6.336 8.537 1.00 0.00 C ATOM 1411 O LEU A 88 193.142 5.865 8.520 1.00 0.00 O ATOM 1412 CB LEU A 88 190.211 4.641 8.970 1.00 0.00 C ATOM 1413 CG LEU A 88 190.683 3.275 9.471 1.00 0.00 C ATOM 1414 CD1 LEU A 88 189.785 2.171 8.934 1.00 0.00 C ATOM 1415 CD2 LEU A 88 192.128 3.030 9.069 1.00 0.00 C ATOM 0 H LEU A 88 189.056 6.678 9.716 1.00 0.00 H new ATOM 0 HA LEU A 88 191.496 5.535 10.448 1.00 0.00 H new ATOM 0 HB2 LEU A 88 189.153 4.752 9.208 1.00 0.00 H new ATOM 0 HB3 LEU A 88 190.297 4.662 7.884 1.00 0.00 H new ATOM 0 HG LEU A 88 190.623 3.268 10.559 1.00 0.00 H new ATOM 0 HD11 LEU A 88 190.136 1.206 9.301 1.00 0.00 H new ATOM 0 HD12 LEU A 88 188.762 2.338 9.272 1.00 0.00 H new ATOM 0 HD13 LEU A 88 189.813 2.177 7.844 1.00 0.00 H new ATOM 0 HD21 LEU A 88 192.447 2.054 9.434 1.00 0.00 H new ATOM 0 HD22 LEU A 88 192.213 3.057 7.983 1.00 0.00 H new ATOM 0 HD23 LEU A 88 192.762 3.804 9.502 1.00 0.00 H new ATOM 1427 N GLN A 89 191.603 7.284 7.697 1.00 0.00 N ATOM 1428 CA GLN A 89 192.496 7.841 6.686 1.00 0.00 C ATOM 1429 C GLN A 89 193.559 8.726 7.329 1.00 0.00 C ATOM 1430 O GLN A 89 194.727 8.692 6.939 1.00 0.00 O ATOM 1431 CB GLN A 89 191.702 8.643 5.654 1.00 0.00 C ATOM 1432 CG GLN A 89 192.564 9.228 4.545 1.00 0.00 C ATOM 1433 CD GLN A 89 193.336 8.167 3.786 1.00 0.00 C ATOM 1434 OE1 GLN A 89 194.564 8.223 3.695 1.00 0.00 O ATOM 1435 NE2 GLN A 89 192.621 7.194 3.235 1.00 0.00 N ATOM 0 H GLN A 89 190.664 7.683 7.696 1.00 0.00 H new ATOM 0 HA GLN A 89 192.994 7.012 6.182 1.00 0.00 H new ATOM 0 HB2 GLN A 89 190.942 7.999 5.211 1.00 0.00 H new ATOM 0 HB3 GLN A 89 191.177 9.453 6.161 1.00 0.00 H new ATOM 0 HG2 GLN A 89 191.931 9.778 3.849 1.00 0.00 H new ATOM 0 HG3 GLN A 89 193.264 9.945 4.974 1.00 0.00 H new ATOM 0 HE21 GLN A 89 191.606 7.187 3.336 1.00 0.00 H new ATOM 0 HE22 GLN A 89 193.087 6.453 2.711 1.00 0.00 H new ATOM 1444 N HIS A 90 193.147 9.519 8.312 1.00 0.00 N ATOM 1445 CA HIS A 90 194.061 10.418 9.009 1.00 0.00 C ATOM 1446 C HIS A 90 194.913 9.661 10.029 1.00 0.00 C ATOM 1447 O HIS A 90 194.988 10.047 11.195 1.00 0.00 O ATOM 1448 CB HIS A 90 193.271 11.525 9.711 1.00 0.00 C ATOM 1449 CG HIS A 90 194.135 12.543 10.388 1.00 0.00 C ATOM 1450 ND1 HIS A 90 194.948 13.419 9.700 1.00 0.00 N ATOM 1451 CD2 HIS A 90 194.312 12.824 11.702 1.00 0.00 C ATOM 1452 CE1 HIS A 90 195.584 14.194 10.559 1.00 0.00 C ATOM 1453 NE2 HIS A 90 195.216 13.854 11.780 1.00 0.00 N ATOM 0 H HIS A 90 192.184 9.558 8.645 1.00 0.00 H new ATOM 0 HA HIS A 90 194.729 10.860 8.270 1.00 0.00 H new ATOM 0 HB2 HIS A 90 192.638 12.027 8.980 1.00 0.00 H new ATOM 0 HB3 HIS A 90 192.609 11.074 10.450 1.00 0.00 H new ATOM 0 HD2 HIS A 90 193.831 12.330 12.533 1.00 0.00 H new ATOM 0 HE1 HIS A 90 196.286 14.974 10.305 1.00 0.00 H new ATOM 0 HE2 HIS A 90 195.549 14.286 12.642 1.00 0.00 H new ATOM 1462 N LYS A 91 195.554 8.586 9.581 1.00 0.00 N ATOM 1463 CA LYS A 91 196.399 7.777 10.454 1.00 0.00 C ATOM 1464 C LYS A 91 197.629 7.280 9.701 1.00 0.00 C ATOM 1465 O LYS A 91 198.762 7.493 10.133 1.00 0.00 O ATOM 1466 CB LYS A 91 195.612 6.587 11.007 1.00 0.00 C ATOM 1467 CG LYS A 91 194.397 6.982 11.832 1.00 0.00 C ATOM 1468 CD LYS A 91 194.578 6.636 13.303 1.00 0.00 C ATOM 1469 CE LYS A 91 194.541 5.134 13.533 1.00 0.00 C ATOM 1470 NZ LYS A 91 193.606 4.764 14.630 1.00 0.00 N ATOM 0 H LYS A 91 195.505 8.254 8.618 1.00 0.00 H new ATOM 0 HA LYS A 91 196.726 8.402 11.285 1.00 0.00 H new ATOM 0 HB2 LYS A 91 195.287 5.961 10.176 1.00 0.00 H new ATOM 0 HB3 LYS A 91 196.275 5.980 11.623 1.00 0.00 H new ATOM 0 HG2 LYS A 91 194.220 8.053 11.729 1.00 0.00 H new ATOM 0 HG3 LYS A 91 193.514 6.474 11.445 1.00 0.00 H new ATOM 0 HD2 LYS A 91 195.528 7.036 13.657 1.00 0.00 H new ATOM 0 HD3 LYS A 91 193.793 7.114 13.889 1.00 0.00 H new ATOM 0 HE2 LYS A 91 194.238 4.633 12.613 1.00 0.00 H new ATOM 0 HE3 LYS A 91 195.543 4.779 13.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 193.609 3.732 14.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 193.909 5.221 15.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 192.645 5.080 14.389 1.00 0.00 H new ATOM 1484 N GLY A 92 197.396 6.616 8.572 1.00 0.00 N ATOM 1485 CA GLY A 92 198.491 6.098 7.774 1.00 0.00 C ATOM 1486 C GLY A 92 199.416 5.194 8.565 1.00 0.00 C ATOM 1487 O GLY A 92 200.405 5.653 9.136 1.00 0.00 O ATOM 0 H GLY A 92 196.467 6.428 8.196 1.00 0.00 H new ATOM 0 HA2 GLY A 92 198.087 5.545 6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 92 199.064 6.931 7.367 1.00 0.00 H new ATOM 1491 N GLU A 93 199.092 3.905 8.600 1.00 0.00 N ATOM 1492 CA GLU A 93 199.903 2.935 9.328 1.00 0.00 C ATOM 1493 C GLU A 93 199.939 1.595 8.602 1.00 0.00 C ATOM 1494 O GLU A 93 199.092 0.731 8.829 1.00 0.00 O ATOM 1495 CB GLU A 93 199.364 2.744 10.750 1.00 0.00 C ATOM 1496 CG GLU A 93 197.846 2.788 10.841 1.00 0.00 C ATOM 1497 CD GLU A 93 197.294 1.801 11.850 1.00 0.00 C ATOM 1498 OE1 GLU A 93 197.906 1.651 12.930 1.00 0.00 O ATOM 1499 OE2 GLU A 93 196.250 1.178 11.563 1.00 0.00 O ATOM 0 H GLU A 93 198.276 3.509 8.134 1.00 0.00 H new ATOM 0 HA GLU A 93 200.920 3.325 9.383 1.00 0.00 H new ATOM 0 HB2 GLU A 93 199.714 1.787 11.136 1.00 0.00 H new ATOM 0 HB3 GLU A 93 199.780 3.519 11.394 1.00 0.00 H new ATOM 0 HG2 GLU A 93 197.531 3.795 11.114 1.00 0.00 H new ATOM 0 HG3 GLU A 93 197.421 2.576 9.860 1.00 0.00 H new ATOM 1506 N ALA A 94 200.928 1.428 7.729 1.00 0.00 N ATOM 1507 CA ALA A 94 201.077 0.191 6.973 1.00 0.00 C ATOM 1508 C ALA A 94 201.586 -0.933 7.869 1.00 0.00 C ATOM 1509 O ALA A 94 201.570 -0.819 9.094 1.00 0.00 O ATOM 1510 CB ALA A 94 202.016 0.402 5.795 1.00 0.00 C ATOM 0 H ALA A 94 201.637 2.133 7.528 1.00 0.00 H new ATOM 0 HA ALA A 94 200.098 -0.098 6.590 1.00 0.00 H new ATOM 0 HB1 ALA A 94 202.118 -0.530 5.239 1.00 0.00 H new ATOM 0 HB2 ALA A 94 201.610 1.173 5.140 1.00 0.00 H new ATOM 0 HB3 ALA A 94 202.994 0.715 6.161 1.00 0.00 H new ATOM 1516 N ARG A 95 202.041 -2.019 7.252 1.00 0.00 N ATOM 1517 CA ARG A 95 202.556 -3.159 7.999 1.00 0.00 C ATOM 1518 C ARG A 95 203.786 -3.749 7.316 1.00 0.00 C ATOM 1519 O ARG A 95 204.812 -3.982 7.955 1.00 0.00 O ATOM 1520 CB ARG A 95 201.472 -4.231 8.145 1.00 0.00 C ATOM 1521 CG ARG A 95 200.926 -4.354 9.560 1.00 0.00 C ATOM 1522 CD ARG A 95 201.240 -5.714 10.166 1.00 0.00 C ATOM 1523 NE ARG A 95 202.608 -5.785 10.673 1.00 0.00 N ATOM 1524 CZ ARG A 95 203.030 -5.146 11.759 1.00 0.00 C ATOM 1525 NH1 ARG A 95 202.196 -4.384 12.457 1.00 0.00 N ATOM 1526 NH2 ARG A 95 204.291 -5.267 12.154 1.00 0.00 N ATOM 0 H ARG A 95 202.063 -2.133 6.239 1.00 0.00 H new ATOM 0 HA ARG A 95 202.848 -2.811 8.990 1.00 0.00 H new ATOM 0 HB2 ARG A 95 200.651 -4.001 7.466 1.00 0.00 H new ATOM 0 HB3 ARG A 95 201.880 -5.193 7.837 1.00 0.00 H new ATOM 0 HG2 ARG A 95 201.353 -3.569 10.185 1.00 0.00 H new ATOM 0 HG3 ARG A 95 199.847 -4.201 9.549 1.00 0.00 H new ATOM 0 HD2 ARG A 95 200.542 -5.919 10.977 1.00 0.00 H new ATOM 0 HD3 ARG A 95 201.091 -6.489 9.414 1.00 0.00 H new ATOM 0 HE ARG A 95 203.279 -6.359 10.163 1.00 0.00 H new ATOM 0 HH11 ARG A 95 201.225 -4.286 12.160 1.00 0.00 H new ATOM 0 HH12 ARG A 95 202.526 -3.896 13.290 1.00 0.00 H new ATOM 0 HH21 ARG A 95 204.938 -5.851 11.624 1.00 0.00 H new ATOM 0 HH22 ARG A 95 204.614 -4.776 12.988 1.00 0.00 H new ATOM 1540 N ARG A 96 203.675 -3.991 6.014 1.00 0.00 N ATOM 1541 CA ARG A 96 204.779 -4.554 5.244 1.00 0.00 C ATOM 1542 C ARG A 96 205.932 -3.564 5.136 1.00 0.00 C ATOM 1543 O ARG A 96 205.909 -2.657 4.304 1.00 0.00 O ATOM 1544 CB ARG A 96 204.301 -4.953 3.847 1.00 0.00 C ATOM 1545 CG ARG A 96 205.394 -5.557 2.980 1.00 0.00 C ATOM 1546 CD ARG A 96 204.887 -5.866 1.580 1.00 0.00 C ATOM 1547 NE ARG A 96 203.808 -6.849 1.595 1.00 0.00 N ATOM 1548 CZ ARG A 96 203.992 -8.151 1.798 1.00 0.00 C ATOM 1549 NH1 ARG A 96 205.214 -8.631 1.996 1.00 0.00 N ATOM 1550 NH2 ARG A 96 202.955 -8.976 1.805 1.00 0.00 N ATOM 0 H ARG A 96 202.832 -3.806 5.470 1.00 0.00 H new ATOM 0 HA ARG A 96 205.137 -5.441 5.767 1.00 0.00 H new ATOM 0 HB2 ARG A 96 203.486 -5.670 3.942 1.00 0.00 H new ATOM 0 HB3 ARG A 96 203.895 -4.074 3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 96 206.235 -4.866 2.919 1.00 0.00 H new ATOM 0 HG3 ARG A 96 205.765 -6.471 3.444 1.00 0.00 H new ATOM 0 HD2 ARG A 96 204.534 -4.947 1.111 1.00 0.00 H new ATOM 0 HD3 ARG A 96 205.710 -6.240 0.970 1.00 0.00 H new ATOM 0 HE ARG A 96 202.856 -6.518 1.441 1.00 0.00 H new ATOM 0 HH11 ARG A 96 206.016 -8.001 1.993 1.00 0.00 H new ATOM 0 HH12 ARG A 96 205.351 -9.630 2.151 1.00 0.00 H new ATOM 0 HH21 ARG A 96 202.014 -8.613 1.655 1.00 0.00 H new ATOM 0 HH22 ARG A 96 203.098 -9.974 1.961 1.00 0.00 H new ATOM 1564 N ALA A 97 206.942 -3.747 5.981 1.00 0.00 N ATOM 1565 CA ALA A 97 208.107 -2.872 5.977 1.00 0.00 C ATOM 1566 C ALA A 97 208.999 -3.164 4.774 1.00 0.00 C ATOM 1567 O ALA A 97 209.450 -2.250 4.085 1.00 0.00 O ATOM 1568 CB ALA A 97 208.891 -3.028 7.270 1.00 0.00 C ATOM 0 H ALA A 97 206.976 -4.493 6.676 1.00 0.00 H new ATOM 0 HA ALA A 97 207.760 -1.841 5.902 1.00 0.00 H new ATOM 0 HB1 ALA A 97 209.758 -2.368 7.252 1.00 0.00 H new ATOM 0 HB2 ALA A 97 208.254 -2.767 8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 97 209.224 -4.061 7.371 1.00 0.00 H new ATOM 1574 N ALA A 98 209.248 -4.447 4.530 1.00 0.00 N ATOM 1575 CA ALA A 98 210.084 -4.869 3.411 1.00 0.00 C ATOM 1576 C ALA A 98 211.434 -4.160 3.431 1.00 0.00 C ATOM 1577 O ALA A 98 211.778 -3.486 4.402 1.00 0.00 O ATOM 1578 CB ALA A 98 209.369 -4.610 2.094 1.00 0.00 C ATOM 0 H ALA A 98 208.882 -5.214 5.094 1.00 0.00 H new ATOM 0 HA ALA A 98 210.267 -5.939 3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 98 210.003 -4.929 1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 98 208.434 -5.170 2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 98 209.157 -3.545 1.999 1.00 0.00 H new ATOM 1584 N THR A 99 212.194 -4.315 2.352 1.00 0.00 N ATOM 1585 CA THR A 99 213.505 -3.684 2.248 1.00 0.00 C ATOM 1586 C THR A 99 213.375 -2.167 2.178 1.00 0.00 C ATOM 1587 O THR A 99 212.286 -1.638 1.952 1.00 0.00 O ATOM 1588 CB THR A 99 214.252 -4.202 1.017 1.00 0.00 C ATOM 1589 OG1 THR A 99 215.392 -3.406 0.751 1.00 0.00 O ATOM 1590 CG2 THR A 99 213.403 -4.220 -0.237 1.00 0.00 C ATOM 0 H THR A 99 211.926 -4.870 1.539 1.00 0.00 H new ATOM 0 HA THR A 99 214.074 -3.941 3.142 1.00 0.00 H new ATOM 0 HB THR A 99 214.533 -5.227 1.261 1.00 0.00 H new ATOM 0 HG1 THR A 99 215.942 -3.841 0.067 1.00 0.00 H new ATOM 0 HG21 THR A 99 213.994 -4.598 -1.071 1.00 0.00 H new ATOM 0 HG22 THR A 99 212.539 -4.866 -0.082 1.00 0.00 H new ATOM 0 HG23 THR A 99 213.064 -3.209 -0.461 1.00 0.00 H new ATOM 1598 N SER A 100 214.489 -1.473 2.376 1.00 0.00 N ATOM 1599 CA SER A 100 214.499 -0.015 2.336 1.00 0.00 C ATOM 1600 C SER A 100 214.450 0.503 0.900 1.00 0.00 C ATOM 1601 O SER A 100 214.180 1.681 0.669 1.00 0.00 O ATOM 1602 CB SER A 100 215.747 0.523 3.038 1.00 0.00 C ATOM 1603 OG SER A 100 216.879 0.460 2.186 1.00 0.00 O ATOM 0 H SER A 100 215.398 -1.896 2.566 1.00 0.00 H new ATOM 0 HA SER A 100 213.609 0.339 2.856 1.00 0.00 H new ATOM 0 HB2 SER A 100 215.578 1.554 3.347 1.00 0.00 H new ATOM 0 HB3 SER A 100 215.936 -0.054 3.943 1.00 0.00 H new ATOM 0 HG SER A 100 217.663 0.811 2.657 1.00 0.00 H new ATOM 1609 N VAL A 101 214.715 -0.377 -0.061 1.00 0.00 N ATOM 1610 CA VAL A 101 214.704 0.004 -1.467 1.00 0.00 C ATOM 1611 C VAL A 101 213.277 0.150 -1.995 1.00 0.00 C ATOM 1612 O VAL A 101 213.029 0.905 -2.934 1.00 0.00 O ATOM 1613 CB VAL A 101 215.471 -1.019 -2.332 1.00 0.00 C ATOM 1614 CG1 VAL A 101 216.866 -1.245 -1.772 1.00 0.00 C ATOM 1615 CG2 VAL A 101 214.708 -2.335 -2.428 1.00 0.00 C ATOM 0 H VAL A 101 214.940 -1.357 0.109 1.00 0.00 H new ATOM 0 HA VAL A 101 215.204 0.970 -1.536 1.00 0.00 H new ATOM 0 HB VAL A 101 215.564 -0.613 -3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 101 217.394 -1.969 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 101 217.413 -0.302 -1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 101 216.792 -1.626 -0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 101 215.270 -3.038 -3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 101 214.575 -2.752 -1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 101 213.732 -2.158 -2.880 1.00 0.00 H new ATOM 1625 N LYS A 102 212.345 -0.574 -1.384 1.00 0.00 N ATOM 1626 CA LYS A 102 210.946 -0.521 -1.797 1.00 0.00 C ATOM 1627 C LYS A 102 210.198 0.582 -1.053 1.00 0.00 C ATOM 1628 O LYS A 102 209.913 1.641 -1.613 1.00 0.00 O ATOM 1629 CB LYS A 102 210.266 -1.869 -1.550 1.00 0.00 C ATOM 1630 CG LYS A 102 210.826 -2.998 -2.398 1.00 0.00 C ATOM 1631 CD LYS A 102 209.959 -3.263 -3.619 1.00 0.00 C ATOM 1632 CE LYS A 102 208.559 -3.709 -3.225 1.00 0.00 C ATOM 1633 NZ LYS A 102 207.524 -2.721 -3.637 1.00 0.00 N ATOM 0 H LYS A 102 212.532 -1.203 -0.603 1.00 0.00 H new ATOM 0 HA LYS A 102 210.919 -0.298 -2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 102 210.370 -2.131 -0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 102 209.199 -1.770 -1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 102 211.838 -2.747 -2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 102 210.897 -3.905 -1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 102 209.897 -2.359 -4.225 1.00 0.00 H new ATOM 0 HD3 LYS A 102 210.425 -4.030 -4.238 1.00 0.00 H new ATOM 0 HE2 LYS A 102 208.343 -4.674 -3.684 1.00 0.00 H new ATOM 0 HE3 LYS A 102 208.514 -3.853 -2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 206.654 -2.882 -3.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 207.873 -1.758 -3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 207.322 -2.833 -4.651 1.00 0.00 H new ATOM 1647 N ASP A 103 209.880 0.324 0.212 1.00 0.00 N ATOM 1648 CA ASP A 103 209.161 1.292 1.033 1.00 0.00 C ATOM 1649 C ASP A 103 210.053 2.477 1.391 1.00 0.00 C ATOM 1650 O ASP A 103 210.898 2.384 2.281 1.00 0.00 O ATOM 1651 CB ASP A 103 208.647 0.623 2.310 1.00 0.00 C ATOM 1652 CG ASP A 103 207.506 1.391 2.948 1.00 0.00 C ATOM 1653 OD1 ASP A 103 207.313 2.573 2.593 1.00 0.00 O ATOM 1654 OD2 ASP A 103 206.805 0.810 3.803 1.00 0.00 O ATOM 0 H ASP A 103 210.109 -0.547 0.691 1.00 0.00 H new ATOM 0 HA ASP A 103 208.314 1.662 0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 103 208.315 -0.389 2.078 1.00 0.00 H new ATOM 0 HB3 ASP A 103 209.465 0.534 3.025 1.00 0.00 H new ATOM 1659 N ALA A 104 209.856 3.591 0.693 1.00 0.00 N ATOM 1660 CA ALA A 104 210.640 4.796 0.941 1.00 0.00 C ATOM 1661 C ALA A 104 210.027 5.620 2.068 1.00 0.00 C ATOM 1662 O ALA A 104 209.253 6.545 1.823 1.00 0.00 O ATOM 1663 CB ALA A 104 210.747 5.628 -0.329 1.00 0.00 C ATOM 0 H ALA A 104 209.161 3.684 -0.048 1.00 0.00 H new ATOM 0 HA ALA A 104 211.642 4.495 1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 104 211.335 6.524 -0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 104 211.234 5.042 -1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 104 209.749 5.915 -0.661 1.00 0.00 H new ATOM 1669 N ASN A 105 210.376 5.275 3.302 1.00 0.00 N ATOM 1670 CA ASN A 105 209.857 5.980 4.469 1.00 0.00 C ATOM 1671 C ASN A 105 210.473 7.370 4.586 1.00 0.00 C ATOM 1672 O ASN A 105 209.814 8.316 5.019 1.00 0.00 O ATOM 1673 CB ASN A 105 210.134 5.177 5.742 1.00 0.00 C ATOM 1674 CG ASN A 105 209.828 3.702 5.574 1.00 0.00 C ATOM 1675 OD1 ASN A 105 208.668 3.304 5.461 1.00 0.00 O ATOM 1676 ND2 ASN A 105 210.871 2.880 5.559 1.00 0.00 N ATOM 0 H ASN A 105 211.016 4.512 3.521 1.00 0.00 H new ATOM 0 HA ASN A 105 208.780 6.090 4.345 1.00 0.00 H new ATOM 0 HB2 ASN A 105 211.180 5.298 6.024 1.00 0.00 H new ATOM 0 HB3 ASN A 105 209.535 5.579 6.559 1.00 0.00 H new ATOM 0 HD21 ASN A 105 210.728 1.876 5.451 1.00 0.00 H new ATOM 0 HD22 ASN A 105 211.816 3.253 5.656 1.00 0.00 H new ATOM 1683 N PHE A 106 211.740 7.489 4.201 1.00 0.00 N ATOM 1684 CA PHE A 106 212.440 8.768 4.268 1.00 0.00 C ATOM 1685 C PHE A 106 212.094 9.636 3.070 1.00 0.00 C ATOM 1686 O PHE A 106 211.992 10.858 3.177 1.00 0.00 O ATOM 1687 CB PHE A 106 213.952 8.546 4.338 1.00 0.00 C ATOM 1688 CG PHE A 106 214.413 7.946 5.635 1.00 0.00 C ATOM 1689 CD1 PHE A 106 214.027 6.665 5.997 1.00 0.00 C ATOM 1690 CD2 PHE A 106 215.235 8.661 6.491 1.00 0.00 C ATOM 1691 CE1 PHE A 106 214.451 6.109 7.190 1.00 0.00 C ATOM 1692 CE2 PHE A 106 215.662 8.110 7.685 1.00 0.00 C ATOM 1693 CZ PHE A 106 215.269 6.833 8.035 1.00 0.00 C ATOM 0 H PHE A 106 212.302 6.718 3.840 1.00 0.00 H new ATOM 0 HA PHE A 106 212.118 9.284 5.172 1.00 0.00 H new ATOM 0 HB2 PHE A 106 214.253 7.894 3.518 1.00 0.00 H new ATOM 0 HB3 PHE A 106 214.458 9.500 4.189 1.00 0.00 H new ATOM 0 HD1 PHE A 106 213.388 6.094 5.340 1.00 0.00 H new ATOM 0 HD2 PHE A 106 215.546 9.660 6.223 1.00 0.00 H new ATOM 0 HE1 PHE A 106 214.143 5.110 7.461 1.00 0.00 H new ATOM 0 HE2 PHE A 106 216.302 8.678 8.344 1.00 0.00 H new ATOM 0 HZ PHE A 106 215.601 6.401 8.968 1.00 0.00 H new ATOM 1703 N VAL A 107 211.923 8.988 1.936 1.00 0.00 N ATOM 1704 CA VAL A 107 211.591 9.678 0.693 1.00 0.00 C ATOM 1705 C VAL A 107 210.125 9.464 0.326 1.00 0.00 C ATOM 1706 O VAL A 107 209.340 8.962 1.130 1.00 0.00 O ATOM 1707 CB VAL A 107 212.482 9.213 -0.487 1.00 0.00 C ATOM 1708 CG1 VAL A 107 213.240 10.392 -1.079 1.00 0.00 C ATOM 1709 CG2 VAL A 107 213.449 8.120 -0.055 1.00 0.00 C ATOM 0 H VAL A 107 212.008 7.976 1.843 1.00 0.00 H new ATOM 0 HA VAL A 107 211.775 10.738 0.868 1.00 0.00 H new ATOM 0 HB VAL A 107 211.829 8.796 -1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 107 213.861 10.047 -1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 107 212.530 11.135 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 107 213.873 10.839 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 107 214.059 7.817 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 107 214.095 8.498 0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 107 212.887 7.262 0.313 1.00 0.00 H new ATOM 1719 N GLU A 108 209.764 9.843 -0.898 1.00 0.00 N ATOM 1720 CA GLU A 108 208.397 9.687 -1.373 1.00 0.00 C ATOM 1721 C GLU A 108 208.271 8.431 -2.235 1.00 0.00 C ATOM 1722 O GLU A 108 209.136 7.556 -2.201 1.00 0.00 O ATOM 1723 CB GLU A 108 207.972 10.926 -2.168 1.00 0.00 C ATOM 1724 CG GLU A 108 208.685 11.073 -3.503 1.00 0.00 C ATOM 1725 CD GLU A 108 208.384 12.393 -4.185 1.00 0.00 C ATOM 1726 OE1 GLU A 108 207.390 13.047 -3.800 1.00 0.00 O ATOM 1727 OE2 GLU A 108 209.138 12.774 -5.104 1.00 0.00 O ATOM 0 H GLU A 108 210.401 10.260 -1.577 1.00 0.00 H new ATOM 0 HA GLU A 108 207.737 9.580 -0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 108 206.897 10.882 -2.344 1.00 0.00 H new ATOM 0 HB3 GLU A 108 208.161 11.815 -1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 108 209.760 10.986 -3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 108 208.391 10.254 -4.159 1.00 0.00 H new ATOM 1734 N GLU A 109 207.192 8.349 -3.006 1.00 0.00 N ATOM 1735 CA GLU A 109 206.959 7.200 -3.872 1.00 0.00 C ATOM 1736 C GLU A 109 207.989 7.147 -4.996 1.00 0.00 C ATOM 1737 O GLU A 109 208.192 8.126 -5.713 1.00 0.00 O ATOM 1738 CB GLU A 109 205.548 7.257 -4.462 1.00 0.00 C ATOM 1739 CG GLU A 109 205.208 6.063 -5.340 1.00 0.00 C ATOM 1740 CD GLU A 109 204.586 4.923 -4.557 1.00 0.00 C ATOM 1741 OE1 GLU A 109 203.705 5.192 -3.715 1.00 0.00 O ATOM 1742 OE2 GLU A 109 204.981 3.761 -4.788 1.00 0.00 O ATOM 0 H GLU A 109 206.466 9.064 -3.049 1.00 0.00 H new ATOM 0 HA GLU A 109 207.058 6.297 -3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 109 204.825 7.317 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 109 205.445 8.170 -5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 109 204.520 6.378 -6.125 1.00 0.00 H new ATOM 0 HG3 GLU A 109 206.114 5.709 -5.833 1.00 0.00 H new ATOM 1749 N VAL A 110 208.639 5.995 -5.142 1.00 0.00 N ATOM 1750 CA VAL A 110 209.648 5.814 -6.179 1.00 0.00 C ATOM 1751 C VAL A 110 209.264 4.685 -7.128 1.00 0.00 C ATOM 1752 O VAL A 110 209.544 3.516 -6.864 1.00 0.00 O ATOM 1753 CB VAL A 110 211.032 5.510 -5.573 1.00 0.00 C ATOM 1754 CG1 VAL A 110 212.115 5.611 -6.636 1.00 0.00 C ATOM 1755 CG2 VAL A 110 211.326 6.447 -4.410 1.00 0.00 C ATOM 0 H VAL A 110 208.484 5.175 -4.556 1.00 0.00 H new ATOM 0 HA VAL A 110 209.701 6.751 -6.734 1.00 0.00 H new ATOM 0 HB VAL A 110 211.024 4.489 -5.192 1.00 0.00 H new ATOM 0 HG11 VAL A 110 213.085 5.393 -6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 110 211.912 4.894 -7.431 1.00 0.00 H new ATOM 0 HG13 VAL A 110 212.125 6.619 -7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 110 212.308 6.216 -3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 110 211.314 7.479 -4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 110 210.567 6.318 -3.638 1.00 0.00 H new ATOM 1765 N GLU A 111 208.621 5.042 -8.236 1.00 0.00 N ATOM 1766 CA GLU A 111 208.199 4.055 -9.226 1.00 0.00 C ATOM 1767 C GLU A 111 209.299 3.806 -10.251 1.00 0.00 C ATOM 1768 O GLU A 111 209.283 4.375 -11.344 1.00 0.00 O ATOM 1769 CB GLU A 111 206.924 4.522 -9.932 1.00 0.00 C ATOM 1770 CG GLU A 111 206.986 5.962 -10.414 1.00 0.00 C ATOM 1771 CD GLU A 111 206.338 6.929 -9.446 1.00 0.00 C ATOM 1772 OE1 GLU A 111 206.759 6.965 -8.271 1.00 0.00 O ATOM 1773 OE2 GLU A 111 205.409 7.654 -9.861 1.00 0.00 O ATOM 0 H GLU A 111 208.381 6.005 -8.471 1.00 0.00 H new ATOM 0 HA GLU A 111 207.996 3.120 -8.704 1.00 0.00 H new ATOM 0 HB2 GLU A 111 206.732 3.871 -10.785 1.00 0.00 H new ATOM 0 HB3 GLU A 111 206.081 4.412 -9.250 1.00 0.00 H new ATOM 0 HG2 GLU A 111 208.028 6.247 -10.563 1.00 0.00 H new ATOM 0 HG3 GLU A 111 206.493 6.038 -11.383 1.00 0.00 H new ATOM 1780 N GLU A 112 210.252 2.954 -9.894 1.00 0.00 N ATOM 1781 CA GLU A 112 211.360 2.629 -10.785 1.00 0.00 C ATOM 1782 C GLU A 112 211.049 1.382 -11.607 1.00 0.00 C ATOM 1783 O GLU A 112 211.811 0.415 -11.603 1.00 0.00 O ATOM 1784 CB GLU A 112 212.646 2.419 -9.978 1.00 0.00 C ATOM 1785 CG GLU A 112 212.598 1.207 -9.063 1.00 0.00 C ATOM 1786 CD GLU A 112 212.588 1.585 -7.594 1.00 0.00 C ATOM 1787 OE1 GLU A 112 211.768 2.443 -7.207 1.00 0.00 O ATOM 1788 OE2 GLU A 112 213.401 1.021 -6.831 1.00 0.00 O ATOM 0 H GLU A 112 210.280 2.475 -8.994 1.00 0.00 H new ATOM 0 HA GLU A 112 211.502 3.465 -11.469 1.00 0.00 H new ATOM 0 HB2 GLU A 112 213.484 2.311 -10.667 1.00 0.00 H new ATOM 0 HB3 GLU A 112 212.839 3.309 -9.379 1.00 0.00 H new ATOM 0 HG2 GLU A 112 211.708 0.620 -9.289 1.00 0.00 H new ATOM 0 HG3 GLU A 112 213.459 0.570 -9.265 1.00 0.00 H new ATOM 1795 N GLU A 113 209.921 1.410 -12.311 1.00 0.00 N ATOM 1796 CA GLU A 113 209.508 0.281 -13.137 1.00 0.00 C ATOM 1797 C GLU A 113 210.049 0.417 -14.558 1.00 0.00 C ATOM 1798 O GLU A 113 210.195 -0.622 -15.237 1.00 0.00 O ATOM 1799 CB GLU A 113 207.979 0.161 -13.155 1.00 0.00 C ATOM 1800 CG GLU A 113 207.278 1.209 -14.011 1.00 0.00 C ATOM 1801 CD GLU A 113 207.176 2.556 -13.324 1.00 0.00 C ATOM 1802 OE1 GLU A 113 208.127 3.357 -13.443 1.00 0.00 O ATOM 1803 OE2 GLU A 113 206.146 2.811 -12.667 1.00 0.00 O ATOM 1804 OXT GLU A 113 210.319 1.561 -14.981 1.00 0.00 O ATOM 0 H GLU A 113 209.278 2.201 -12.326 1.00 0.00 H new ATOM 0 HA GLU A 113 209.924 -0.628 -12.701 1.00 0.00 H new ATOM 0 HB2 GLU A 113 207.708 -0.830 -13.520 1.00 0.00 H new ATOM 0 HB3 GLU A 113 207.608 0.236 -12.133 1.00 0.00 H new ATOM 0 HG2 GLU A 113 207.819 1.325 -14.950 1.00 0.00 H new ATOM 0 HG3 GLU A 113 206.277 0.857 -14.261 1.00 0.00 H new TER 1811 GLU A 113